SCHEMBL1465617

SCHEMBL1465617

O=C(O)C1(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.46
AKR1C1 Q04828 2/20 0.46
SLC6A4 P31645 9/20 0.46
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 1/20 0.44
APP P05067 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CYP2C9 P11712 1/20 0.43
TET3 O43151 1/20 0.43
FBXL19 Q6PCT2 1/20 0.43
CXXC5 Q7LFL8 1/20 0.43
TET1 Q8NFU7 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
CXXC4 Q9H2H0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19469594 0.93 MEN1 (0.52) KMT2AMEN1TSHREPHX2AKR1C1
SCHEMBL25010550 0.85 EPHX2 (0.45) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL2534042 0.85 OPRL1 (0.50) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL31169150 0.84 OPRL1 (0.42) KMT2AMEN1TSHREPHX2AKR1C1
SCHEMBL30565520 0.84 SLC6A4 (0.48) KMT2AMEN1TSHREPHX2SLC6A4
SCHEMBL31169161 0.83 EPHX2 (0.44) KMT2AMEN1TSHREPHX2SLC6A4
SCHEMBL1374499 0.82 APP (0.71) AKR1C1APPAKR1C3AKR1C2CYP2C9
SCHEMBL4440466 0.82 SLC6A4 (0.46) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL14894559 0.82 SLC6A4 (0.41) KMT2AMEN1TSHREPHX2SLC6A4
SCHEMBL27925689 0.81 SLC6A4 (0.47) EPHX2SLC6A4SLC6A3SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 232 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS HOFFMANN-LA ROCHE INC. (US) 2025-12-25 US disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
EP-4486444-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118871422-A 3-Alkynyl carboxamides as AEP modulators 豪夫迈·罗氏有限公司 2024-10-29 CN disclosed
US-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-07-04 US disclosed
US-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-07-04 US disclosed
EP-4377295-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-06-05 EP disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 WO disclosed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 KMT2A 3156/4885MEN1 4355/4885TSHR 2080/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885TSHR 2748/4885
US-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS NHERF1, ENPP1, ATP6AP1 KMT2A 2938/4885MEN1 1657/4885TSHR 1268/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885TSHR 2748/4885
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS CNR2, CNR1, FAAH2 KMT2A 1448/4885MEN1 4443/4885TSHR 636/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885TSHR 2723/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 KMT2A 4080/4885MEN1 4624/4885TSHR 1747/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE KMT2A 3971/4885MEN1 4659/4885TSHR 3701/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 KMT2A 3350/4885MEN1 4579/4885TSHR 2243/4885
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 KMT2A 4575/4885MEN1 4331/4885TSHR 3171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.