SCHEMBL670039

SCHEMBL670039

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
SCHEMBL2323271 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 102 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-3210965-B2 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2026-05-13 — — EP disclosed
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-4269384-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) 2023-11-01 — — EP disclosed
EP-3868739-B1 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2023-10-04 — — EP disclosed
US-11739049-B2 Process for the preparation of (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol Grünenthal GmbH (DE) 2023-08-29 — — US disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 — — EP disclosed
EP-3210965-B1 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2021-11-17 — — EP disclosed
US-20210253513-A1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL PHARMATHEN S.A. (GR) 2021-08-19 — — US disclosed
US-20210130282-A1 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2021-05-06 — — US disclosed
WO-2008012046-A1 PREPARATION OF 3-[(1R,2R)-3-(DIMETHYLAMINO)-1ETHYL-2-METHYLPROPYL]PHENOL Grünenthal GmbH (DE) 2008-01-31 — — WO disclosed
WO-2008012047-A1 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2008-01-31 — — WO disclosed
WO-2008012283-A1 PREPARATION OF (2R,3R)-3-(3-METHOXYPHENYL)-N,N,2-TRIMETHYLPENTANAMINE JANSSEN PHARMACEUTICA NV (BE) 2008-01-31 — — WO disclosed
WO-2008012283-A1 PREPARATION OF (2R,3R)-3-(3-METHOXYPHENYL)-N,N,2-TRIMETHYLPENTANAMINE JANSSEN PHARMACEUTICA NV (BE) 2008-01-31 — — WO disclosed
US-20060194988-A1 Process for the preparation of substitued 3-aryl-butylamine compounds GRUENENTHAL GMBH 2006-08-31 — — US disclosed
US-20060167318-A1 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 GRUENENTHAL GMBH (DE) 2006-07-27 — — US disclosed
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 disclosed
EP-1633697-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-15 — — EP disclosed
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 disclosed
WO-2004108658-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-ARYL-BUTYL AMINE COMPOUNDS Grünenthal GmbH (DE) 2004-12-16 — — 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 (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-20060167318-A1 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 BRD2, BBOX1, BRD1 SLC22A1 4361/4885OPRM1 1260/4885AOC3 56/4885
US-11739049-B2 Process for the preparation of (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol COMT, CYP1A1, CYP2E1 SLC22A1 4825/4885OPRM1 201/4885AOC3 874/4885
US-20060194988-A1 Process for the preparation of substitued 3-aryl-butylamine compounds BRD3, TYR, BBOX1 SLC22A1 4252/4885OPRM1 131/4885AOC3 46/4885
US-20210130282-A1 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL COMT, CYP1A1, CYP2E1 SLC22A1 4825/4885OPRM1 201/4885AOC3 874/4885
US-20210253513-A1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL OPRK1, OPRL1, OPRM1 SLC22A1 2262/4885OPRM1 3/4885AOC3 1796/4885

“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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