SCHEMBL170759

SCHEMBL170759

C=C(CCCCC)CCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.48
THRA P10827 8/20 0.38
THRB P10828 8/20 0.38
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL4791412 1.00 DNM1 (0.48) DNM1THRATHRBCES2CES1
SCHEMBL21698552 0.93 DNM1 (0.44) DNM1THRATHRBCES2CES1
SCHEMBL19034541 0.83 DNM1 (0.36) DNM1THRATHRBALDH1A1TSHR
SCHEMBL506355 0.83 CES2 (0.50) THRBCES2CES1AKR1B1ALDH1A1
SCHEMBL27383432 0.80 KDM4C (0.50) DNM1
SCHEMBL20854575 0.80 CES2 (0.52) THRBCES2CES1ALDH1A1TSHR
SCHEMBL20854574 0.80 CES2 (0.52) THRBCES2CES1ALDH1A1TSHR
SCHEMBL20854578 0.80 CES2 (0.52) THRBCES2CES1ALDH1A1TSHR
SCHEMBL20774476 0.80 CES2 (0.52) THRBCES2CES1ALDH1A1TSHR
SCHEMBL20854579 0.80 CES2 (0.52) THRBCES2CES1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791300-B2 Process for preparing a substituted dimethyl-(3-arylbutyl)amine compound by homogeneous catalysis GRUENENTHAL GMBH (DE) 2014-07-29 US claimed
EP-1943211-B1 PROCESS FOR PREPARING SUBSTITUTED DIMETHYL(3-ARYLBUTYL)AMINE COMPOUNDS BY MEANS OF HOMOGENEOUS CATALYSIS GRUENENTHAL GMBH (DE) 2011-08-17 EP claimed
EP-1636169-B1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS GRUENENTHAL GMBH (DE) 2010-06-02 EP claimed
US-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis GRUENENTHAL GMBH (DE) 2009-02-12 US claimed
EP-1636169-A1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS Grünenthal GmbH (DE) 2006-03-22 EP claimed
US-20050176790-A1 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2005-08-11 US claimed
WO-2005000788-A1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS Grünenthal GmbH (DE) 2005-01-06 WO claimed
EP-0983995-B1 Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds GRUENENTHAL GMBH (DE) 2004-03-31 EP claimed
EP-1069106-B1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
US-5811582-A ANALGESICS GRUENENTHAL GMBH (DE) 1998-09-22 US claimed
US-10160719-B2 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2018-12-25 US disclosed
US-20170137370-A1 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2017-05-18 US disclosed
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS SIEGFRIED AG (CH) 2015-07-02 US disclosed
US-8791300-B2 Process for preparing a substituted dimethyl-(3-arylbutyl)amine compound by homogeneous catalysis GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8704002-B2 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)-amine compounds by heterogeneous catalysis Grünenthal GmbH (DE) 2014-04-22 US disclosed
CN-1163884-A Dimethyl-(3-aryl-but-3-enyl)-amine compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1997-11-05 CN disclosed
CN-1163884-A Dimethyl-(3-aryl-but-3-enyl)-amine compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1997-11-05 CN disclosed
EP-0799819-A1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 1997-10-08 EP disclosed
EP-0799819-A1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 1997-10-08 EP disclosed
EP-0799819-A1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 1997-10-08 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 (5 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-20050176790-A1 Pharmaceutical salts SLC5A1, SLC5A2, SLC35A1 DNM1 1728/4885THRA 3114/4885THRB 4301/4885
US-10160719-B2 Pharmaceutical salts SLC5A1, SLC5A2, SLC35A1 DNM1 1999/4885THRA 3394/4885THRB 4373/4885
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS CYP3A43, CYP1A2, CYP2C8 DNM1 3548/4885THRA 2822/4885THRB 3370/4885
US-20170137370-A1 PHARMACEUTICAL SALTS SLC5A1, SLC5A2, SLC35A1 DNM1 1999/4885THRA 3394/4885THRB 4373/4885
US-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis HRH3, CAT, CMA1 DNM1 1391/4885THRA 1591/4885THRB 2271/4885

“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.