SCHEMBL96486

SCHEMBL96486

COCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.56
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.46
RAD52 P43351 1/20 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
SCHEMBL2331849 1.00 HRH3 (0.56) HRH3POLBMAPTALDH1A1KDM4E
SCHEMBL1277016 0.98 HRH3 (0.52) HRH3POLBMAPTALDH1A1KDM4E
SCHEMBL10103385 0.93 HRH3 (0.61) HRH3ALDH1A1L3MBTL1CYP2D6
SCHEMBL12712715 0.93
SCHEMBL20332771 0.92 HRH3 (0.51) HRH3POLBMAPTALDH1A1KCNH2
SCHEMBL21472087 0.91 HRH3 (0.65) HRH3ALDH1A1KCNH2CYP2D6
SCHEMBL10103384 0.91 HRH3 (0.56) HRH3MAPTALDH1A1L3MBTL1CYP2D6
SCHEMBL20332383 0.89 HRH3 (0.49) HRH3POLBMAPTALDH1A1KCNH2
SCHEMBL13849154 0.88 HRH3 (0.61) HRH3ALDH1A1KDM4EL3MBTL1CYP2D6
SCHEMBL10924619 0.87 ALDH1A1 (0.39) HRH3ALDH1A1KDM4ECYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134517-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO claimed
CN-107406451-A Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors 福马治疗股份有限公司 2017-11-28 CN claimed
CN-103804281-A Method for preparing prucalopride intermediate 1-(3-methoxypropyl)-4-piperidylamine AVENTIS PHARMACEUTICAL JIANGSU CO LTD 2014-05-21 CN claimed
CN-114539133-B Method for preparing prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2024-09-20 CN disclosed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
WO-2023215802-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. 2023-09-14 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN 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-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING TTR, TTPA, TNNC1 HRH3 4623/4885POLB 2777/4885MAPT 18/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HRH3 4130/4885POLB 77/4885MAPT 3389/4885
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 HRH3 2734/4885POLB 413/4885MAPT 2525/4885
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR HRH3 3604/4885POLB 3121/4885MAPT 1500/4885
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS HRH3 31/4885POLB 2988/4885MAPT 4850/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG HRH3 484/4885POLB 2441/4885MAPT 4545/4885

“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.