SCHEMBL877335

SCHEMBL877335

CC(CN(C)C)C(=O)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
SLC22A1 O15245 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
EGLN2 Q96KS0 1/20 0.42
CTNNB1 P35222 1/20 0.41
EGFR P00533 1/20 0.41
HSD17B1 P14061 2/20 0.40

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 SCHEMBL2555308 0.98 MAPT (0.46) OPRM1SLC22A1CA12CA1CA2
SCHEMBL12369211 0.84 SLC6A2 (0.49) PARP1MAPTNPC1MAPK1HTT
SCHEMBL15471637 0.84 SLC6A2 (0.49) PARP1MAPTNPC1MAPK1HTT
SCHEMBL12369212 0.84 SLC6A2 (0.49) PARP1MAPTNPC1MAPK1HTT
SCHEMBL12163002 0.83 PBRM1 (0.45) OPRM1CA1CA2CA9KDM4E
SCHEMBL12099223 0.83 PBRM1 (0.45) OPRM1CA1CA2CA9KDM4E
SCHEMBL12099224 0.83 PBRM1 (0.45) OPRM1CA1CA2CA9KDM4E
SCHEMBL8697304 0.83 CES2 (0.50) OPRM1PARP1MAPTNPC1MAPK1
SCHEMBL15471641 0.81 PRSS1 (0.46) OPRM1SLC22A1MAPTNPC1MAPK1
SCHEMBL9683311 0.81 NPC1 (0.64) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096347-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-04-18 US claimed
EP-2556048-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Actavis Group PTC EHF (IS) 2013-02-13 EP claimed
WO-2011128784-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-10-20 WO claimed
WO-2019035775-A1 METHOD FOR THE PREPARATION OF TAPENTADOL AND ITS INTERMEDIATES SANECA PHARMACEUTICALS A.S. (SK) 2019-02-21 WO disclosed
US-8552219-B2 Process for preparing L-phenyl-3-dimethylaminopropane derivative IND-SWIFT LABORATORIES LIMITED (IN) 2013-10-08 US disclosed
US-8552219-B2 Process for preparing L-phenyl-3-dimethylaminopropane derivative IND-SWIFT LABORATORIES LIMITED (IN) 2013-10-08 US disclosed
US-8552219-B2 Process for preparing L-phenyl-3-dimethylaminopropane derivative IND-SWIFT LABORATORIES LIMITED (IN) 2013-10-08 US disclosed
EP-2619174-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE Ind-Swift Laboratories Limited (IN) 2013-07-31 EP disclosed
US-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2013-07-25 US disclosed
US-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2013-07-25 US disclosed
US-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2013-07-25 US disclosed
US-20130096347-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-04-18 US disclosed
US-20130096347-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-04-18 US disclosed
US-20130096347-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-04-18 US disclosed
EP-2556048-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Actavis Group PTC EHF (IS) 2013-02-13 EP disclosed
WO-2012038974-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038974-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2011128784-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-10-20 WO disclosed
WO-2011128784-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-10-20 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 (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-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE CYP3A43, UGT1A1, UGT1A7 OPRM1 1207/4885SLC22A1 1287/4885CA12 4711/4885
US-20130096347-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TPMT, OPRD1, COMT OPRM1 9/4885SLC22A1 1493/4885CA12 3477/4885

“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.