SCHEMBL4296469

SCHEMBL4296469

OC(c1ccccc1)(c1ccccc1)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.59
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
CYP2D6 P10635 6/20 0.50
KCNH2 Q12809 5/20 0.50
HTR1A P08908 3/20 0.50
OPRM1 P35372 3/20 0.50
LMNA P02545 2/20 0.50
CHRM3 P20309 5/20 0.47
CHRM4 P08173 4/20 0.47
CHRM5 P08912 4/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47

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
SCHEMBL2423921 0.98 CYP2B6 (0.55) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL8537991 0.89 CYP2B6 (0.49) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL25772069 0.80 CYP2B6 (0.55) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL27323649 0.79 CYP2B6 (0.55) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL10459209 0.77 ALDH1A1 (0.44) CYP2B6CHRM2LMNACHRM3KDM4E
SCHEMBL2491599 0.77 CYP2B6 (0.63) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL19296941 0.77 CYP2B6 (0.63) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL6552278 0.77 CYP2B6 (0.62) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL27512467 0.77 CYP2B6 (0.52) CYP2B6CHRM2CHRM1CYP2D6KCNH2
SCHEMBL11201378 0.76 CYP2B6 (0.52) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399422-A2 NOVEL CRYSTALLINE FORMS OF 4-[4-[4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL] -1-HYDROXYBUTYL] -A,A-DIMETHYLBENZENE ACETIC ACID AND ITS HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2004-03-24 EP claimed
WO-2002102777-A2 NOVEL CRYSTALLINE FORMS OF 4-[4-[4-(HYDROXYDIPHENYLMETHYL)-1-PIPERINDINYL]-1-HYDROXYBUTYL]-α, α-DIMETHYLBENZENE ACETIC ACID AND ITS HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2002-12-27 WO claimed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
CN-1897930-A Compositions and methods for treating contracture ANGIOTECH INT AG (CH) 2007-01-17 CN disclosed
US-20060241303-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2006-10-26 US disclosed
CN-1756530-A Drug delivery from rapid gelling polymer compositions ANGIOTECH INTERNAT GMBH (CH) 2006-04-05 CN disclosed
CN-1756571-A Tissue reactive compounds and compositions and uses thereof ANGIOTECH INTERNAT GMBH (CH) 2006-04-05 CN disclosed
WO-2005011604-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH AN ANTIHISTAMINE FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-5777125-A Process for the preparation of tertiary carbinols containing an amino substituent GRUPPO LEPETIT SPA (IT) 1998-07-07 US disclosed
US-5750703-A Piperidine derivatives and process for their production ALBANY MOLECULAR RESEARCH, INC. (US) 1998-05-12 US disclosed
EP-0508334-B1 Novel aminophenol derivatives and pharmaceutical compositions thereof GREEN CROSS CORP (JP) 1998-01-07 EP disclosed
EP-0330875-B1 Process for the preparation of tertiary carbinols containing an aminic substituent LEPETIT SPA (IT) 1995-08-16 EP disclosed
US-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 US disclosed
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 EP disclosed
EP-0330875-A2 Process for the preparation of tertiary carbinols containing an aminic substituent GRUPPO LEPETIT S.p.A. (IT) 1989-09-06 EP disclosed
EP-0181793-B1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTICAL APPLICATION SYNTHELABO (FR) 1988-07-27 EP disclosed
EP-0181793-A1 Piperidine derivatives, their preparation and their therapeutical application SYNTHELABO (FR) 1986-05-21 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 (2 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-20060241303-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 CYP2B6 185/4885CHRM2 510/4885CHRM1 235/4885
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 CYP2B6 3114/4885CHRM2 3202/4885CHRM1 3807/4885

“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.