SCHEMBL548259

SCHEMBL548259

CCCCCC1CC[CH]CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
LSS P48449 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 2/20 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
SCHEMBL547742 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL55638 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL4921924 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL4923265 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL4921810 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL1127668 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL8744097 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL27618641 0.98 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL27449477 0.96 CYP1A2 (0.46) CYP1A2EPHX1ALDH1A1PKMHTT
SCHEMBL42267 0.93 CYP1A2 (0.58) CYP1A2EPHX1PKMHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024094125-A1 LIPID COMPOUNDS, LIPID NANOPARTICLES, AND PHARMACEUTICAL COMPOSITIONS Shanghai Circode Biomed Co., Ltd. (CN) 2024-05-10 WO claimed
CN-117510421-B Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-04-05 CN claimed
CN-117510421-A Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-02-06 CN claimed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US claimed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US claimed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
CN-104755083-A Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RES INST 2015-07-01 CN claimed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US claimed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 WO claimed
US-20050159449-A1 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-07-21 US claimed
WO-2003091189-A1 CANNABINOIDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2003-11-06 WO claimed
CN-1094943-C Urethanes and ureas that induce cytokine production AMERICAN CYANAMID CO (US) 2002-11-27 CN claimed
US-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 US claimed
EP-0652228-B1 Urethanes and ureas that induce cytokine production AMERICAN CYANAMID CO (US) 1996-10-23 EP claimed
EP-0652228-A1 Urethanes and ureas that induce cytokine production AMERICAN CYANAMID COMPANY (US) 1995-05-10 EP claimed
CN-1100413-A Urethanes and ureas that induce cytokine production AMERICAN CYANAMID CO (US) 1995-03-22 CN claimed
US-5312831-A Immunology, anticarcinogenic agents and AIDS treatment AMERICAN CYANAMID COMPANY (US) 1994-05-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A CYP1A2 178/4885EPHX1 3969/4885ALDH1A1 609/4885
US-20050159449-A1 Cannabinoids CNR1, CNR2, OPRL1 CYP1A2 996/4885EPHX1 787/4885ALDH1A1 3865/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP CYP1A2 1004/4885EPHX1 1122/4885ALDH1A1 2650/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R CYP1A2 528/4885EPHX1 4524/4885ALDH1A1 1484/4885

“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.