SCHEMBL7547849

SCHEMBL7547849

CCC(O)(c1ccccc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.55
CHRM2 P08172 4/20 0.47
CHRM1 P11229 4/20 0.47
CYP2D6 P10635 3/20 0.47
KCNH2 Q12809 3/20 0.47
HTR1A P08908 2/20 0.47
OPRM1 P35372 2/20 0.47
LMNA P02545 2/20 0.47
CHRM3 P20309 3/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
KDM4E B2RXH2 2/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SCN3A Q9NY46 1/20 0.45

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
SCHEMBL597167 0.98 CYP2B6 (0.52) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL8013935 0.98 CYP2B6 (0.52) CYP2B6CHRM2CHRM1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL8017738 0.96 CYP2B6 (0.50) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL4541997 0.83 KCNA5 (0.48) OPRM1LMNAKMT2AMEN1ALDH1A1
SCHEMBL9816209 0.83 CHRM2 (0.48) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL9366900 0.81 CYP2B6 (0.49) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL14354381 0.78 CYP2B6 (0.39) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL2707429 0.78 CYP2B6 (0.58) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL10587081 0.77 CYP2B6 (0.45) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL9076530 0.77 CHRM4 (0.63) CYP2B6CHRM2CHRM1CYP2D6KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US claimed
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-01-03 US claimed
CN-113226313-A Sustained release compositions comprising trihexyphenidyl 卡希夫生物科学有限公司 2021-08-06 CN disclosed
CN-111044663-A Method for determining concentration of diphenhydrasol in blood plasma by liquid chromatography-mass spectrometry 南京立顺康达医药科技有限公司 2020-04-21 CN disclosed
EP-3510092-A1 PLASTIC COMPOSITION, PRODUCTION METHOD, AND USE OF SAME ATP Aicher + Tröbs Produktentwicklung GmbH (DE) 2019-07-17 EP disclosed
WO-2018141587-A1 PLASTIC COMPOSITION, PRODUCTION METHOD, AND USE OF SAME ATP Aicher + Tröbs Produktentwicklung GmbH (DE) 2018-08-09 WO disclosed
EP-0634932-B1 METHOD FOR REDUCING INTRAOCULAR PRESSURE IN THE MAMMALIAN EYE BY ADMINISTRATION OF MUSCARINIC ANTAGONISTS ALLERGAN INC (US) 2002-06-19 EP disclosed
EP-0634932-A1 METHOD FOR REDUCING INTRAOCULAR PRESSURE IN THE MAMMALIAN EYE BY ADMINISTRATION OF MUSCARINIC ANTAGONISTS ALLERGAN, INC. (US) 1995-01-25 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 (1 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-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 CYP2B6 4744/4885CHRM2 3610/4885CHRM1 3271/4885

“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.