Sugi Predict

Sugi Predict / Compounds / SCHEMBL2632719

SCHEMBL2632719

SCHEMBL2632719

CCCN1Cc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ SIGMAR1 Q99720 3/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CARM1 Q86X55 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL38660913 0.86 ALDH1A1 (0.81) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL14670200 0.86 ALDH1A1 (0.81) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL13487187 0.86 MAOA (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL3246920 0.86 MAOA (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL30072993 0.85 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL13261683 0.85 ALDH1A1 (0.92) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL14288506 0.83 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL15779805 0.83 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL38662915 0.83 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL6673534 0.83 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 — — WO disclosed
US-11046714-B2 2,2-difluorodioxolo A2A receptor antagonists MERCK SHARP & DOHME CORP. (US) 2021-06-29 — — US disclosed
WO-2019039818-A1 PYRIMIDINONE DERIVATIVE COMPOUND AND USE THEREOF 보령제약 주식회사 2019-02-28 — — WO disclosed
EP-3119757-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC AND RELATED DISORDERS PFIZER (US) 2018-05-16 — — EP disclosed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 — — EP disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 — — US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 — — US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 — — US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 — — US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 — — US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 — — US disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 — — US disclosed
EP-0135280-B1 NEW POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREBY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-05-12 — — 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 (6 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 ALDH1A1 2287/4885CYP1A2 185/4885CYP2D6 942/4885
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 ALDH1A1 2158/4885CYP1A2 1585/4885CYP2D6 1311/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ALDH1A1 982/4885CYP1A2 1682/4885CYP2D6 2336/4885
US-11046714-B2 2,2-difluorodioxolo A2A receptor antagonists ADORA2A, ADORA2B, ADORA3 ALDH1A1 718/4885CYP1A2 532/4885CYP2D6 721/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 ALDH1A1 2383/4885CYP1A2 3364/4885CYP2D6 4354/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 ALDH1A1 1624/4885CYP1A2 577/4885CYP2D6 991/4885

“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.