SCHEMBL726305

SCHEMBL726305

NCC1CCCCC1c1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.67
HTR2C P28335 6/20 0.67
HTR2B P41595 6/20 0.67
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL1841583 1.00 HTR2A (0.67) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL12020671 1.00 HTR2A (0.67) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL12020812 1.00 HTR2A (0.67) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL12020665 1.00 HTR2A (0.67) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL730351 0.84 HTR2A (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
Faxeladol SCHEMBL616828 0.80 SLC6A4 (0.50) HTR2AHTR2CHTR2BSLC6A4
Faxeladol SCHEMBL149508 0.80 SLC6A4 (0.50) HTR2AHTR2CHTR2BSLC6A4
Faxeladol SCHEMBL354208 0.80 SLC6A4 (0.50) HTR2AHTR2CHTR2BSLC6A4
SCHEMBL1841310 0.80 SLC6A4 (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
Faxeladol SCHEMBL149507 0.80 SLC6A4 (0.50) HTR2AHTR2CHTR2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296414-A1 1-Phenyl-2-Dimethylaminomethyl Cyclohexane Compounds And Therapies For Depressive Symptoms, Pain and Incontinence GRUENENTHAL GMBH (DE) 2013-11-07 US claimed
US-20110263699-A1 1-Phenyl-2-DimethylaminomethylCyclohexane Compounds and Therapies for Depressive Symptoms, Pain and Incontinence GRUENENTHAL GMBH (DE) 2011-10-27 US claimed
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
EP-1530462-B1 1-PHENYL-2-DIMETHYLAMINOMETHYL CYCLOHEXANE COMPOUNDS USED FOR THE THERAPY OF DEPRESSIVE SYMPTOMS, PAIN, AND INCONTINENCE GRUENENTHAL GMBH (DE) 2010-12-15 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-20100004341-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for Therapy of Fibromyalgia GRUENENTHAL GMBH (DE) 2010-01-07 US claimed
EP-1970060-A2 Use of C-(2-Phenyl-cyclohexyl)-methylamine compounds for fibromyalgia therapy Grünenthal GmbH (DE) 2008-09-17 EP claimed
US-20060258741-A1 C-(2-phenyl-cyclohexyl)-methylamine compounds for the treatment of anxiety disorders GRUENENTHAL GMBH 2006-11-16 US claimed
EP-1686984-A1 USE OF C-(2-PHENYL-CYCLOHEXYL)-METHYLAMINE COMPOUNDS FOR THE TREATMENT OF ANXIETY DISORDERS Grünenthal GmbH (DE) 2006-08-09 EP claimed
CN-1697651-A 1-phenyl-2-dimethylaminomethyl cyclohexane compounds and therapies for depressive symptoms, pain and incontinence KRAUSE GEORG (DE) 2005-11-16 CN claimed
US-20050182131-A1 1-Phenyl-2-dimethylaminomethyl cyclohexane compounds and therapies for depressive symptoms, pain and incontinence GRUENENTHAL GMBH (DE) 2005-08-18 US claimed
WO-2005051375-A1 USE OF C-(2-PHENYL-CYCLOHEXYL)-METHYLAMINE COMPOUNDS FOR THE TREATMENT OF ANXIETY DISORDERS Grünenthal GmbH (DE) 2005-06-09 WO claimed
EP-1530462-A1 1-PHENYL-2-DIMETHYLAMINOMETHYL CYCLOHEXANE COMPOUNDS USED FOR THE THERAPY OF DEPRESSIVE SYMPTOMS, PAIN, AND INCONTINENCE Grünenthal GmbH (DE) 2005-05-18 EP claimed
WO-2004009067-A1 1-PHENYL-2-DIMETHYLAMINOMETHYL CYCLOHEXANE COMPOUNDS USED FOR THE THERAPY OF DEPRESSIVE SYMPTOMS, PAIN, AND INCONTINENCE Grünenthal GmbH (DE) 2004-01-29 WO claimed
US-9850198-B2 Process for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-12-26 US disclosed
EP-2792668-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-05-31 EP disclosed
CN-104725246-B Process For Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds 格吕伦塔尔有限公司 2017-05-03 CN disclosed
WO-2005051375-A1 USE OF C-(2-PHENYL-CYCLOHEXYL)-METHYLAMINE COMPOUNDS FOR THE TREATMENT OF ANXIETY DISORDERS Grünenthal GmbH (DE) 2005-06-09 WO disclosed
EP-1530462-A1 1-PHENYL-2-DIMETHYLAMINOMETHYL CYCLOHEXANE COMPOUNDS USED FOR THE THERAPY OF DEPRESSIVE SYMPTOMS, PAIN, AND INCONTINENCE Grünenthal GmbH (DE) 2005-05-18 EP disclosed
WO-2004009067-A1 1-PHENYL-2-DIMETHYLAMINOMETHYL CYCLOHEXANE COMPOUNDS USED FOR THE THERAPY OF DEPRESSIVE SYMPTOMS, PAIN, AND INCONTINENCE Grünenthal GmbH (DE) 2004-01-29 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 (6 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 HTR2A 3/4885HTR2C 2/4885HTR2B 14/4885
US-20100004341-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for Therapy of Fibromyalgia PNMT, HNMT, GNMT HTR2A 13/4885HTR2C 11/4885HTR2B 46/4885
US-20050182131-A1 1-Phenyl-2-dimethylaminomethyl cyclohexane compounds and therapies for depressive symptoms, pain and incontinence PNMT, HNMT, BHMT2 HTR2A 18/4885HTR2C 10/4885HTR2B 51/4885
US-20130296414-A1 1-Phenyl-2-Dimethylaminomethyl Cyclohexane Compounds And Therapies For Depressive Symptoms, Pain and Incontinence PNMT, HNMT, OPRM1 HTR2A 22/4885HTR2C 12/4885HTR2B 87/4885
US-20100249225-A1 C-(2-Phenyl-Cyclohexyl)-Methylamine Compounds for the Treatment of Anxiety Disorders PNMT, HTR2C, HTR2A HTR2A 3/4885HTR2C 2/4885HTR2B 14/4885
US-20110263699-A1 1-Phenyl-2-DimethylaminomethylCyclohexane Compounds and Therapies for Depressive Symptoms, Pain and Incontinence PNMT, HNMT, OPRM1 HTR2A 17/4885HTR2C 5/4885HTR2B 74/4885

“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.