SCHEMBL526425

SCHEMBL526425

NC1(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39

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
Hydrochloric Acid SCHEMBL1937321 0.98 GRIN1 (0.44) GRIN1GRIN2AGRIN2BOPRM1OPRL1
Hydrochloric Acid SCHEMBL2530809 0.98 GRIN1 (0.44) GRIN1GRIN2AGRIN2BOPRM1OPRL1
Hydrochloric Acid SCHEMBL29775660 0.98 GRIN1 (0.44) GRIN1GRIN2AGRIN2BOPRM1OPRL1
Hydrochloric Acid SCHEMBL1919376 0.98 GRIN1 (0.44) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL29857697 0.91 GRIN1 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL1515504 0.91 GRIN1 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL31116789 0.91 GRIN1 (0.51) GRIN1GRIN2AGRIN2BOPRM1OPRL1
Hydrochloric Acid SCHEMBL1515631 0.90 GRIN1 (0.46) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL27481787 0.90 GRIN1 (0.54) GRIN1GRIN2AGRIN2BHSD11B1
Hydrochloric Acid SCHEMBL18742775 0.90 GRIN1 (0.46) GRIN1GRIN2AGRIN2BOPRM1OPRL1

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 268 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-3981395-A1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE DISORDERS Oryzon Genomics, S.A. (ES) 2022-04-13 EP 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-2750671-A2 LYSINE DEMETHYLASE INHIBITORS FOR THROMBOSIS AND CARDIOVASCULAR DISEASES Oryzon Genomics, S.A. (ES) 2014-07-09 EP claimed
WO-2012156537-A2 LYSINE DEMETHYLASE INHIBITORS FOR THROMBOSIS AND CARDIOVASCULAR DISEASES ORYZON GENOMICS, S.A. (ES) 2012-11-22 WO claimed
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
WO-2025093590-A1 HETEROARYL ESTER DERIVATIVES AS SODIUM CHANNEL INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-05-08 WO disclosed
EP-3956033-B1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS INC (US) 2024-12-11 EP disclosed
US-12103902-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2024-09-12 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (8 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 GRIN1 452/4885GRIN2A 1629/4885GRIN2B 1228/4885
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET GRIN1 1494/4885GRIN2A 1611/4885GRIN2B 1555/4885
US-12103902-B2 Bicyclic compounds YAP1, TEAD2, TEAD3 GRIN1 2993/4885GRIN2A 3296/4885GRIN2B 3797/4885
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS MAST1, MAST3, MAST4 GRIN1 932/4885GRIN2A 1233/4885GRIN2B 1603/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 GRIN1 433/4885GRIN2A 740/4885GRIN2B 691/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 GRIN1 424/4885GRIN2A 387/4885GRIN2B 372/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA GRIN1 1692/4885GRIN2A 2219/4885GRIN2B 3033/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 GRIN1 433/4885GRIN2A 740/4885GRIN2B 691/4885

“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.