SCHEMBL588122

SCHEMBL588122

Brc1ccc(C2CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
GBA1 P04062 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 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
SCHEMBL30600078 1.00 OPRM1 (0.46) OPRM1OPRL1NOTUMALDH1A1KDM4E
SCHEMBL23148740 0.91 OPRM1 (0.43) OPRM1OPRL1NOTUMALDH1A1KDM4E
SCHEMBL15168141 0.90 MAPK8 (0.42) OPRM1OPRL1NOTUMALDH1A1KDM4E
SCHEMBL15167577 0.90 MAPK8 (0.42) OPRM1OPRL1NOTUMALDH1A1KDM4E
SCHEMBL15167575 0.90 MAPK8 (0.42) OPRM1OPRL1NOTUMALDH1A1KDM4E
SCHEMBL4764247 0.86 OPRM1 (0.41) OPRM1OPRL1NOTUM
SCHEMBL3063348 0.86 OPRM1 (0.41) OPRM1OPRL1NOTUMMEN1KMT2A
SCHEMBL31127661 0.86 OPRM1 (0.41) OPRM1OPRL1NOTUMMEN1KMT2A
SCHEMBL29551516 0.86 OPRM1 (0.41) OPRM1OPRL1NOTUM
SCHEMBL15167960 0.85 OPRM1 (0.40) OPRM1OPRL1NOTUMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019440-A Preparation method of 6-cyclopropyl pyridine-3-boric acid pinacol ester 浙江雅辰药物科技股份有限公司 2024-11-26 CN claimed
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
EP-4743454-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS USP1 INHIBITORS Laekna Pharmaceutical Ningbo Co., Ltd. (CN) 2026-05-20 EP disclosed
EP-4073062-B1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) RYVU THERAPEUTICS S A (PL) 2026-04-29 EP disclosed
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2026-04-16 US disclosed
WO-2025245178-A1 PAK4, CSTF2, OR CSTF2T PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS INNOVO THERAPEUTICS, INC. (US) 2025-11-27 WO disclosed
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-10-07 US disclosed
US-20250213560-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING PHENYL GROUP AND USES THEREOF BNH RESEARCH CO., LTD. (KR) 2025-07-03 US disclosed
US-20250171439-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-05-29 US disclosed
US-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
CN-1633430-A Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. 2005-03-03 US disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (7 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-20250114374-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 OPRM1 4585/4885OPRL1 4446/4885NOTUM 3665/4885
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist GRM2, GRIK2, GRIA2 OPRM1 832/4885OPRL1 255/4885NOTUM 606/4885
US-20250213560-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING PHENYL GROUP AND USES THEREOF PNMT, BDNF, NLN OPRM1 289/4885OPRL1 48/4885NOTUM 3027/4885
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives CYCS, CYP2E1, CYP1A1 OPRM1 2110/4885OPRL1 1096/4885NOTUM 2296/4885
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CBR3, CYCS, CBR1 OPRM1 129/4885OPRL1 237/4885NOTUM 1975/4885
US-20250171439-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A OPRM1 38/4885OPRL1 29/4885NOTUM 4509/4885
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 OPRM1 277/4885OPRL1 411/4885NOTUM 3611/4885

“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.