SCHEMBL10062052

SCHEMBL10062052

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 — — EP 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-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
US-20210253513-A1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL PHARMATHEN S.A. (GR) 2021-08-19 — — US disclosed
US-20170233330-A1 Process for the preparation of 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]-phenol SANDOZ AG (CH) 2017-08-17 — — US disclosed
US-9663456-B2 Intermediate of tapentadol SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2017-05-30 — — US disclosed
US-9663456-B2 Intermediate of tapentadol SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2017-05-30 — — US 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-20130178644-A1 PROCESS FOR THE SYNTHESIS OF TAPENTADOL AND INTERMEDIATES THEREOF EUTICALS S.P.A. (IT) 2013-07-11 — — US disclosed
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 — — US disclosed
US-8410176-B2 Intermediate compounds and processes for the preparation of tapentadol and related compounds MAPI PHARMA LTD. (IL) 2013-04-02 — — US disclosed
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LIMITED (IL) 2012-11-08 — — US disclosed
WO-2012001571-A1 NEW PROCESS FOR THE SYNTHESIS OF TAPENTADOL AND INTERMEDIATES THEREOF ARCHIMICA SRL (IT) 2012-01-05 — — WO disclosed
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 — — WO disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 — — WO disclosed
WO-2011080736-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA HK LIMITED (CN) 2011-07-07 — — WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20170233330-A1 Process for the preparation of 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]-phenol AGTR1, SAT1, TMT1A SLC22A1 1704/4885OPRM1 1153/4885AOC3 1089/4885
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-20130178644-A1 PROCESS FOR THE SYNTHESIS OF TAPENTADOL AND INTERMEDIATES THEREOF TKT, CYP2D6, OPRK1 SLC22A1 2153/4885OPRM1 23/4885AOC3 371/4885
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS SLC6A2, SLC6A4, SLC6A6 SLC22A1 1095/4885OPRM1 7/4885AOC3 2345/4885
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
US-20210253513-A1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL OPRK1, OPRL1, OPRM1 SLC22A1 2262/4885OPRM1 3/4885AOC3 1796/4885
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS PNMT, OPRK1, CYP2E1 SLC22A1 2629/4885OPRM1 7/4885AOC3 1481/4885

“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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