SCHEMBL670608

SCHEMBL670608

COc1cccc([C@](O)(CCN(C)C)C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
AOC3 Q16853 2/20 0.39

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
SCHEMBL669922 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL670046 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
Hydrochloric Acid SCHEMBL670045 0.99 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
Hydrochloric Acid SCHEMBL16742846 0.99 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL15109995 0.82 BCL2 (0.55) SMN1; SMN2
SCHEMBL2558812 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL2554080 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL354856 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL117975 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL18897543 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807243-A1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL Pharmathen S.A. (GR) 2021-04-21 EP disclosed
WO-2019238267-A1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL PHARMATHEN S.A. (GR) 2019-12-19 WO disclosed
EP-3063125-A1 NOVEL INTERMEDIATE OF TAPENTADOL Sun Pharma Advanced Research Company (IN) 2016-09-07 EP disclosed
WO-2015075744-A1 NOVEL INTERMEDIATE OF TAPENTADOL SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2015-05-28 WO disclosed
WO-2013105109-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-07-18 WO disclosed
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP disclosed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO disclosed