SCHEMBL104710

SCHEMBL104710

CC(C)c1ccc(C#N)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.52
CYP11B1 P15538 13/20 0.48
CYP11B2 P19099 13/20 0.48
S1PR3 Q99500 1/20 0.42
CACNA1H O95180 1/20 0.41
KDM1A O60341 3/20 0.40

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
SCHEMBL12263195 0.87 CYP11B1 (0.49) CYP11B1CYP11B2KDM1A
SCHEMBL3191471 0.86 CYP11B2 (0.57) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL20656656 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL30408582 0.85 CYP11B1 (0.60) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL18509387 0.85 TRPV4 (0.53) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL16649615 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL28802774 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL20487060 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL22495734 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL16956909 0.85 TRPV4 (0.48) TRPV4CYP11B1CYP11B2S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
WO-2024009120-A1 TRIAZINE DERIVATIVES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2024-01-11 WO disclosed
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPV4 4053/4885CYP11B1 359/4885CYP11B2 881/4885
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 TRPV4 1475/4885CYP11B1 970/4885CYP11B2 1120/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPV4 4053/4885CYP11B1 359/4885CYP11B2 881/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 TRPV4 2999/4885CYP11B1 68/4885CYP11B2 159/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP TRPV4 4080/4885CYP11B1 4566/4885CYP11B2 4630/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 TRPV4 505/4885CYP11B1 62/4885CYP11B2 57/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO TRPV4 3730/4885CYP11B1 651/4885CYP11B2 853/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 TRPV4 3285/4885CYP11B1 2848/4885CYP11B2 3192/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A TRPV4 3875/4885CYP11B1 207/4885CYP11B2 324/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 TRPV4 2842/4885CYP11B1 1654/4885CYP11B2 2464/4885

“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.