SCHEMBL4760466

SCHEMBL4760466

CC(C)c1ccc(C#N)c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KHK P50053 1/20 0.37
HTT P42858 1/20 0.37
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MBOAT4 Q96T53 1/20 0.35
AR P10275 2/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30283054 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL26121667 0.81 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL31339805 0.81 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12775196 0.78 KDM5A (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL810776 0.77 KDM4E (0.41) ALDH1A1KDM4EGAAKHKHTT
SCHEMBL810127 0.77 L3MBTL1 (0.33) ALDH1A1KDM4ESMN1; SMN2ARPOLB
SCHEMBL531211 0.77 MAPK1 (0.33) ALDH1A1SMN1; SMN2ARPOLBL3MBTL1
SCHEMBL5857653 0.77 TRPV4 (0.33) ALDH1A1SMN1; SMN2ARPOLBL3MBTL1
SCHEMBL16206568 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL20892175 0.74 AR (0.37) ALDH1A1KDM4EARPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2025-12-30 US disclosed
EP-3994125-B1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMA (US) 2025-12-24 EP disclosed
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US disclosed
US-20240299402-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-09-12 US disclosed
US-20240285641-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2024-08-29 US disclosed
US-11957687-B2 Modulators of HSD17B13 and methods of use thereof REGENERON PHARMACEUTICALS, INC. (US) 2024-04-16 US disclosed
CN-117618423-A Inhibitors of tryptophan dioxygenase (IDO 1 and TDO) and their use in therapy 奥克兰联合服务有限公司 2024-03-01 CN disclosed
CN-117599049-A Inhibitors of tryptophan dioxygenase (IDO 1 and TDO) and their use in therapy 奥克兰联合服务有限公司 2024-02-27 CN disclosed
US-11826316-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-28 US disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 US disclosed
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US disclosed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 EP disclosed
CN-100340548-C Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP disclosed
CN-1630637-A Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-06-22 CN disclosed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US disclosed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO 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 (11 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 ALDH1A1 495/4885CYP1A2 11/4885CYP2C9 18/4885
US-11826316-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy IDO1, TDO2, IDO2 ALDH1A1 1167/4885CYP1A2 90/4885CYP2C9 35/4885
US-20240285641-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY IDO1, TDO2, IDO2 ALDH1A1 1167/4885CYP1A2 90/4885CYP2C9 35/4885
US-20240299402-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF HSD17B3, HSD17B11, HSD17B1 ALDH1A1 465/4885CYP1A2 808/4885CYP2C9 2455/4885
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885CYP1A2 1401/4885CYP2C9 1324/4885
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative C3AR1, C5AR1, C5AR2 ALDH1A1 1551/4885CYP1A2 2106/4885CYP2C9 1150/4885
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy IDO1, IDO2, TDO2 ALDH1A1 732/4885CYP1A2 845/4885CYP2C9 552/4885
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 ALDH1A1 1558/4885CYP1A2 32/4885CYP2C9 36/4885
US-11957687-B2 Modulators of HSD17B13 and methods of use thereof HSD17B3, HSD17B11, HSD17B1 ALDH1A1 465/4885CYP1A2 808/4885CYP2C9 2455/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885CYP1A2 1401/4885CYP2C9 1324/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 ALDH1A1 1558/4885CYP1A2 32/4885CYP2C9 36/4885

“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.