SCHEMBL2323271

SCHEMBL2323271

CC[C@@H](c1cccc(OC)c1)[C@H](C)CN(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 1/20 0.65
▸ OPRM1 P35372 1/20 0.65
▸ AOC3 Q16853 3/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ CASR P41180 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL29447439 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL30248352 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL670039 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL29447428 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL3898874 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL269429 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL269430 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL10062052 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL15092674 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL26719465 1.00 SLC22A1 (0.65) SLC22A1OPRM1AOC3SLC6A2SLC6A4

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 12 patents. 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
US-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis GRUENENTHAL GMBH (DE) 2009-02-12 — — US claimed
WO-2023209033-A1 METHOD FOR CRYSTALLIZING TAPENTADOL INTERMEDIATE, TAPENTADOL INTERMEDIATE OF HIGH PURITY, METHOD OF MAKING TAPENTADOL AND TAPENTADOL OF HIGH PURITY KRKA, D.D., NOVO MESTO (SI) 2023-11-02 — — WO disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 — — EP disclosed
EP-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 — — EP disclosed
US-9556108-B2 Process for preparing substituted phenylalkanes MALLINCKRODT LLC (US) 2017-01-31 — — US disclosed
US-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2016-01-14 — — 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-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis GRUENENTHAL GMBH (DE) 2009-02-12 — — US disclosed
EP-1943211-A1 PROCESS FOR PREPARING SUBSTITUTED DIMETHYL(3-ARYLBUTYL)AMINE COMPOUNDS BY MEANS OF HOMOGENEOUS CATALYSIS Grünenthal GmbH (DE) 2008-07-16 — — EP disclosed
WO-2007051576-A1 PROCESS FOR PREPARING SUBSTITUTED DIMETHYL(3-ARYLBUTYL)AMINE COMPOUNDS BY MEANS OF HOMOGENEOUS CATALYSIS Grünenthal GmbH (DE) 2007-05-10 — — 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-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES CYP2E1, CYP1B1, CYP4B1 SLC22A1 3503/4885OPRM1 32/4885AOC3 505/4885
US-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis HRH3, CAT, CMA1 SLC22A1 4631/4885OPRM1 1416/4885AOC3 240/4885

“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.

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