SCHEMBL176731

SCHEMBL176731

NC(=O)[CH]c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HSP90AA1 P07900 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IKBKB O14920 2/20 0.46
RAF1 P04049 2/20 0.46
RPS6KB1 P23443 2/20 0.46
MAPK1 P28482 2/20 0.46
AKT1 P31749 2/20 0.46
AKT2 P31751 2/20 0.46
KDR P35968 2/20 0.46
MAPKAPK2 P49137 2/20 0.46
PRKAG1 P54619 2/20 0.46

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
SCHEMBL1382336 0.83 NPC1 (0.58) MEN1NPC1RAB9AKMT2AATM
SCHEMBL3733195 0.83 NPC1 (0.58) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6246765 0.83 KMT2A (0.56) MEN1NPC1RAB9AKMT2AATM
SCHEMBL1516264 0.81 NPC1 (0.45) MEN1NPC1RAB9AKMT2AATM
Acrylamide SCHEMBL11697571 0.80 MEN1 (0.48) MEN1NPC1RAB9AKMT2AATM
SCHEMBL4417037 0.77 P2RX7 (0.44) ALDH1A1KDM4EHPGDHSD17B10CES1
SCHEMBL1515297 0.76 L3MBTL1 (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL1515148 0.76 NPC1 (0.48) MEN1NPC1RAB9AKMT2AATM
SCHEMBL3909699 0.76 MEN1 (0.48) MEN1NPC1RAB9AKMT2AATM
SCHEMBL3092743 0.76 NPC1 (0.48) MEN1NPC1RAB9AKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN claimed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP claimed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US claimed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 US claimed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 EP claimed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 WO claimed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
WO-2007018465-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 US claimed
WO-2006049880-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO claimed
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-27 US claimed
CN-1246432-C Ligand and complex for catlytically bleaching substrate UNILEVER NV (NL) 2006-03-22 CN claimed
CN-1481435-A Ligand and complex for catlytically bleaching substrate 2004-03-10 CN claimed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US claimed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US claimed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP claimed
EP-0761654-A1 Isoxazole- and isothiazole-5-carboxamide derivatives, their preparation and their use as herbicides American Cyanamid Company (US) 1997-03-12 EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators CNR1, CNR2, GPR18 MEN1 4352/4885NPC1 352/4885RAB9A 1510/4885
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators CNR2, CNR1, GPR18 MEN1 3273/4885NPC1 440/4885RAB9A 1137/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP MEN1 4036/4885NPC1 70/4885RAB9A 1539/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 MEN1 4254/4885NPC1 1342/4885RAB9A 628/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 MEN1 4254/4885NPC1 1342/4885RAB9A 628/4885

“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.