SCHEMBL826491

SCHEMBL826491

Cc1ccc2c(C)cccc2n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
ALDH1A1 P00352 3/20 0.55
CYP2A6 P11509 2/20 0.46
BACE1 P56817 1/20 0.44
NCF1 P14598 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP2C9 P11712 1/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
KDM1A O60341 1/20 0.40
GPR3 P46089 1/20 0.40

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
SCHEMBL11249229 0.82 ALDH1A1 (0.55) CYP1A2ALDH1A1NCF1KMT2APOLB
SCHEMBL30081460 0.78 ALDH1A1 (0.51) CYP1A2ALDH1A1NCF1KMT2APOLB
SCHEMBL29923580 0.78 BACE1 (0.60) CYP1A2ALDH1A1BACE1NCF1KMT2A
SCHEMBL29391332 0.78 METAP2 (0.52) CYP1A2ALDH1A1NCF1OPRK1KMT2A
SCHEMBL5540363 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2A6BACE1POLB
SCHEMBL23674668 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2A6BACE1PDE3B
SCHEMBL7219172 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2A6BACE1POLB
SCHEMBL13049644 0.78 BACE1 (0.60) CYP1A2BACE1NCF1
SCHEMBL12367289 0.78 ALDH1A1 (0.51) CYP1A2ALDH1A1NCF1KMT2APOLB
SCHEMBL19044620 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2A6BACE1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106189235-B A kind of sulfone polymer composition and the thermoplastic composition being made from it and application 金发科技股份有限公司 2017-10-24 CN claimed
CN-106189235-A A kind of sulfone polymer composition and consisting of thermoplastic composition and application 金发科技股份有限公司 2016-12-07 CN claimed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-11891387-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-02-06 US disclosed
US-11744146-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto CELGENE CAR LLC (BM) 2023-05-23 US disclosed
US-20220372030-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-11-24 US disclosed
US-20220213452-A1 CONDITIONALLY ACTIVE HETERODIMERIC POLYPEPTIDES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-07 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
US-20080182874-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
WO-2004026866-A1 N-AROYL CYCLIC AMINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-01 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 (12 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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A CYP1A2 2208/4885ALDH1A1 272/4885CYP2A6 3039/4885
US-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CYP1A2 31/4885ALDH1A1 467/4885CYP2A6 227/4885
US-20080182874-A1 Novel Compounds REN, F12, GPR119 CYP1A2 1396/4885ALDH1A1 1001/4885CYP2A6 742/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP1A2 424/4885ALDH1A1 252/4885CYP2A6 627/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CYP1A2 885/4885ALDH1A1 3867/4885CYP2A6 405/4885
US-11891387-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 424/4885ALDH1A1 252/4885CYP2A6 627/4885
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME CYC1, CRY1, C1S CYP1A2 45/4885ALDH1A1 442/4885CYP2A6 177/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CYP1A2 31/4885ALDH1A1 467/4885CYP2A6 227/4885
US-11744146-B2 Amine-based compound and organic light-emitting device including the same AOC2, AOC1, EML4 CYP1A2 456/4885ALDH1A1 76/4885CYP2A6 2759/4885
US-20220213452-A1 CONDITIONALLY ACTIVE HETERODIMERIC POLYPEPTIDES AND METHODS OF USE THEREOF CPB2, AGBL2, IAPP CYP1A2 3982/4885ALDH1A1 4013/4885CYP2A6 3169/4885
US-20220372030-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP1A2 424/4885ALDH1A1 252/4885CYP2A6 627/4885
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto WEE2, WEE1, CDK2 CYP1A2 415/4885ALDH1A1 3405/4885CYP2A6 1013/4885

“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.