SCHEMBL726241

SCHEMBL726241

NCC1CCCCC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.62
HTR2C P28335 8/20 0.62
HTR2B P41595 6/20 0.62
HTR2A P28223 4/20 0.62
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 7/20 0.43
KDM1A O60341 6/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2B6 P20813 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
Hydrochloric Acid SCHEMBL7527758 0.98 MAOB (0.63) MAOBHTR2CHTR2BHTR2AMEN1
SCHEMBL15254847 0.96 MAOB (0.62) MAOBHTR2CHTR2BHTR2AMAOA
SCHEMBL15590759 0.88 MAOB (0.67) MAOBHTR2CHTR2BHTR2AMAOA
SCHEMBL6030936 0.81 KDM1A (0.43) MAOBHTR2CHTR2BHTR2AKDM1A
SCHEMBL23185437 0.80 MEN1 (0.46) MAOBHTR2CHTR2BHTR2AMEN1
SCHEMBL839081 0.80 MEN1 (0.50) MAOBHTR2CHTR2BHTR2AMEN1
SCHEMBL12020671 0.79 HTR2A (0.67) HTR2CHTR2BHTR2ASLC6A3
SCHEMBL12020812 0.79 HTR2A (0.67) HTR2CHTR2BHTR2ASLC6A3
SCHEMBL726305 0.79 HTR2A (0.67) HTR2CHTR2BHTR2ASLC6A3
SCHEMBL1841583 0.79 HTR2A (0.67) HTR2CHTR2BHTR2ASLC6A3

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-1686984-B1 USE OF C-(2-PHENYL-CYCLOHEXYL)-METHYLAMINE COMPOUNDS FOR THE TREATMENT OF ANXIETY DISORDERS GRUENENTHAL GMBH (DE) 2011-05-18 EP claimed
US-20100249225-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for the Treatment of Anxiety Disorders GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20060258741-A1 C-(2-phenyl-cyclohexyl)-methylamine compounds for the treatment of anxiety disorders GRUENENTHAL GMBH 2006-11-16 US claimed
EP-1970060-B9 Use of C-(2-Phenyl-cyclohexyl)-methylamine compounds for fibromyalgia therapy GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
EP-1970060-B1 Use of C-(2-Phenyl-cyclohexyl)-methylamine compounds for fibromyalgia therapy GRUENENTHAL GMBH (DE) 2012-08-29 EP disclosed
US-8084497-B2 C-(2-phenyl-cyclohexyl)-methylamine compounds for therapy of fibromyalgia GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 WO disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 WO disclosed
US-20100249225-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for the Treatment of Anxiety Disorders GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100004341-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for Therapy of Fibromyalgia GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
EP-1970060-A3 Use of C-(2-Phenyl-cyclohexyl)-methylamine compounds for fibromyalgia therapy Grünenthal GmbH (DE) 2009-04-15 EP disclosed
EP-1970060-A2 Use of C-(2-Phenyl-cyclohexyl)-methylamine compounds for fibromyalgia therapy Grünenthal GmbH (DE) 2008-09-17 EP disclosed
EP-1970060-A2 Use of C-(2-Phenyl-cyclohexyl)-methylamine compounds for fibromyalgia therapy Grünenthal GmbH (DE) 2008-09-17 EP disclosed
US-20060258741-A1 C-(2-phenyl-cyclohexyl)-methylamine compounds for the treatment of anxiety disorders GRUENENTHAL GMBH 2006-11-16 US 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 (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-20060258741-A1 C-(2-phenyl-cyclohexyl)-methylamine compounds for the treatment of anxiety disorders PNMT, HTR2C, HTR2A MAOB 32/4885HTR2C 2/4885HTR2B 14/4885
US-20100004341-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for Therapy of Fibromyalgia PNMT, HNMT, GNMT MAOB 42/4885HTR2C 11/4885HTR2B 46/4885
US-20100249225-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for the Treatment of Anxiety Disorders PNMT, HTR2C, HTR2A MAOB 32/4885HTR2C 2/4885HTR2B 14/4885
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD MAOB 81/4885HTR2C 322/4885HTR2B 748/4885

“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.