SCHEMBL668761

SCHEMBL668761

CCC(=O)[C@@H](C)CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.30
OPRM1 P35372 3/20 0.30
TDP1 Q9NUW8 2/20 0.30
MRGPRX2 Q96LB1 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CHRM3 P20309 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
GRIN2D O15399 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL15370923 1.00 KCNH2 (0.30) KCNH2OPRM1TDP1MRGPRX2OPRD1
SCHEMBL669860 1.00 KCNH2 (0.30) KCNH2OPRM1TDP1MRGPRX2OPRD1
Hydrochloric Acid SCHEMBL6906945 0.98 HTT (0.32) OPRM1OPRD1
SCHEMBL19220813 0.76 ALDH1A1 (0.33) TDP1ALDH1A1CHRM3
SCHEMBL9509496 0.76 CA1 (0.33) TDP1ALDH1A1CHRM3CA12CA1
SCHEMBL103865 0.74
SCHEMBL882232 0.74
SCHEMBL22034594 0.74
SCHEMBL27795684 0.74
SCHEMBL1411903 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP claimed
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 US claimed
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP claimed
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-05-30 US claimed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO claimed
US-9663456-B2 Intermediate of tapentadol SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2017-05-30 US disclosed
US-20160264521-A1 NOVEL INTERMEDIATE OF TAPENTADOL SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2016-09-15 US disclosed
EP-3063125-A1 NOVEL INTERMEDIATE OF TAPENTADOL Sun Pharma Advanced Research Company (IN) 2016-09-07 EP disclosed
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP disclosed
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP disclosed
WO-2015075744-A1 NOVEL INTERMEDIATE OF TAPENTADOL SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2015-05-28 WO disclosed
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 US disclosed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO disclosed
EP-0983995-B1 Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds GRUENENTHAL GMBH (DE) 2004-03-31 EP disclosed
EP-1069106-B1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
EP-0799819-B1 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2002-09-11 EP disclosed
EP-1069106-A2 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 2001-01-17 EP disclosed
EP-0983995-A2 Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds Grünenthal GmbH (DE) 2000-03-08 EP disclosed
US-5811582-A ANALGESICS GRUENENTHAL GMBH (DE) 1998-09-22 US 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 (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-20160264521-A1 NOVEL INTERMEDIATE OF TAPENTADOL OPRD1, OPRK1, OPRM1 KCNH2 550/4885OPRM1 3/4885TDP1 1315/4885
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL OPRD1, OPRM1, OPRK1 KCNH2 1154/4885OPRM1 2/4885TDP1 2003/4885

“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.