SCHEMBL4310339

SCHEMBL4310339

CC(C)OC(=O)C1(C(=O)OC(C)C)CC(OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
EPHX2 P34913 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
FFAR1 O14842 1/20 0.40
AGTR2 P50052 2/20 0.39
GLRA1 P23415 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 4/20 0.38
BCHE P06276 1/20 0.38
DPP4 P27487 1/20 0.38
GRIN2B Q13224 2/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL28699610 0.95 TSHR (0.43) TSHREPHX2OPRM1OPRL1FFAR1
SCHEMBL22509316 0.83 TSHR (0.40) TSHREPHX2OPRM1OPRL1FFAR1
SCHEMBL22509306 0.83 TSHR (0.40) TSHREPHX2OPRM1OPRL1FFAR1
SCHEMBL871442 0.82 ADAM17 (0.46) TSHREPHX2OPRM1OPRL1ALDH1A1
SCHEMBL2640274 0.81 EPHX2 (0.47) EPHX2OPRM1OPRL1AGTR2CTSL
SCHEMBL32676611 0.79 EPHX2 (0.44) EPHX2OPRM1OPRL1CTSLCTSB
SCHEMBL29157159 0.78 SLC6A2 (0.40) TSHRFFAR1GRIN2B
SCHEMBL16486136 0.78 ALDH1A1 (0.53) TSHRCTSLCTSBCTSKALDH1A1
SCHEMBL7936878 0.78 DPP4 (0.46) EPHX2OPRM1OPRL1CTSLCTSB
SCHEMBL5236350 0.77 PPARG (0.43) TSHREPHX2OPRM1OPRL1CTSL

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421251-B2 Cystic fibrosis transmembrane conductance regulator modulating agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-09-23 US disclosed
CN-113905785-B Cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-07-19 CN disclosed
EP-4335498-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS Vertex Pharmaceuticals Incorporated (US) 2024-03-13 EP disclosed
EP-3946595-B1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMA (US) 2023-11-15 EP disclosed
EP-3946595-B1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMA (US) 2023-11-15 EP disclosed
US-20220372047-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2022-11-24 US disclosed
EP-3946595-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS Vertex Pharmaceuticals Incorporated (US) 2022-02-09 EP disclosed
CN-113905785-A Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2022-01-07 CN disclosed
WO-2020206080-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-08 WO disclosed
WO-2020206080-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-08 WO disclosed
US-9670211-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-06-06 US disclosed
EP-3033341-B1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2017-05-03 EP disclosed
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
EP-3033341-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-06-22 EP disclosed
WO-2015022263-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 WO disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP 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 (4 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 TSHR 24/4885EPHX2 2044/4885OPRM1 34/4885
US-20220372047-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS CFTR, SCNN1G, CLCN2 TSHR 947/4885EPHX2 2925/4885OPRM1 993/4885
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, TET1, IDO1 TSHR 1321/4885EPHX2 3502/4885OPRM1 2456/4885
US-12421251-B2 Cystic fibrosis transmembrane conductance regulator modulating agents CFTR, SCNN1G, CLCN2 TSHR 947/4885EPHX2 2925/4885OPRM1 993/4885

“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.