SCHEMBL3017563

SCHEMBL3017563

NC1(c2ccccc2)CCC(=O)NC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR3 P49682 1/20 0.39
PNMT P11086 1/20 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
SCHEMBL3021766 0.78 MEN1 (0.57) OPRM1OPRL1MEN1CYP2C9KMT2A
SCHEMBL15037442 0.75 OPRM1 (0.45) OPRM1OPRL1MEN1CYP2C9KMT2A
SCHEMBL614021 0.75 MEN1 (0.63) MEN1CYP2C9KMT2APNMT
SCHEMBL3709972 0.75 MAOB (0.55) OPRM1OPRL1MEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL5383464 0.73 MEN1 (0.61) MEN1CYP2C9KMT2APNMT
Ethylene SCHEMBL11096749 0.72 MEN1 (0.59) MEN1CYP2C9KMT2APNMT
SCHEMBL7897277 0.71 OPRM1 (0.39) OPRM1OPRL1MEN1CYP2C9KMT2A
SCHEMBL3028296 0.70 OPRM1 (0.38) OPRM1OPRL1MEN1CYP2C9KMT2A
SCHEMBL10561985 0.69 HTR2A (0.59) OPRM1PNMT
SCHEMBL27313214 0.69 MEN1 (0.41) MEN1CYP2C9KMT2ACXCR3PNMT

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-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2025-10-16 US disclosed
CN-119546604-A Pyrido [3,2-D ] pyrimidines as HPK1 inhibitors 默克专利有限公司 2025-02-28 CN disclosed
EP-4507789-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-02-19 EP disclosed
WO-2023201185-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 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 (3 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-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS PDXK, PPIP5K2, IP6K1 OPRM1 4236/4885OPRL1 3919/4885MEN1 2014/4885
US-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C OPRM1 67/4885OPRL1 97/4885MEN1 2862/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C OPRM1 67/4885OPRL1 97/4885MEN1 2862/4885

“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.