SCHEMBL669530

SCHEMBL669530

C[C@@H](CN(C)C)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
NR4A2 P43354 5/20 0.60
SMPD1 P17405 1/20 0.55
SRD5A2 P31213 1/20 0.54
KMT2A Q03164 2/20 0.54
PTPN1 P18031 1/20 0.53
GPR132 Q9UNW8 1/20 0.51
MAOA P21397 1/20 0.50
PTGES O14684 1/20 0.50
MEN1 O00255 1/20 0.50
EGFR P00533 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49

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
SCHEMBL29447425 1.00 MAOB (0.61) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL669531 1.00 MAOB (0.61) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL16740956 0.92 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL16740955 0.92 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL7117584 0.85 MAOB (0.59) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL7117578 0.85 MAOB (0.59) MAOBNR4A2SMPD1SRD5A2KMT2A
Hydrochloric Acid SCHEMBL7165699 0.84 MAOB (0.57) MAOBNR4A2SMPD1SRD5A2KMT2A
Hydrochloric Acid SCHEMBL7164131 0.84 MAOB (0.57) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL20364678 0.84 MAOB (0.71) MAOBNR4A2SMPD1SRD5A2KMT2A
SCHEMBL16740948 0.84 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172944-B2 Process for the preparation of tapentadol and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-12-24 US disclosed
US-20220177413-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-06-09 US disclosed
EP-3947342-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF Council of Scientific and Industrial Research (IN) 2022-02-09 EP disclosed
WO-2020194326-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-01 WO disclosed
US-9663456-B2 Intermediate of tapentadol SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2017-05-30 US disclosed
US-20160264521-A1 NOVEL INTERMEDIATE OF TAPENTADOL SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2016-09-15 US disclosed
EP-3063125-A1 NOVEL INTERMEDIATE OF TAPENTADOL Sun Pharma Advanced Research Company (IN) 2016-09-07 EP disclosed
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP disclosed
WO-2015075744-A1 NOVEL INTERMEDIATE OF TAPENTADOL SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2015-05-28 WO disclosed
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 US disclosed
US-8263809-B2 that is, tapentadol or tapentadol hydrochloride; novel intermediates GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO disclosed
EP-2049464-B1 PREPARATION OF 3-[(1R,2R)-3-(DIMETHYLAMINO)-1ETHYL-2-METHYLPROPYL]PHENOL GRUENENTHAL GMBH (DE) 2011-07-06 EP disclosed
EP-2049464-B1 PREPARATION OF 3-[(1R,2R)-3-(DIMETHYLAMINO)-1ETHYL-2-METHYLPROPYL]PHENOL GRUENENTHAL GMBH (DE) 2011-07-06 EP disclosed
US-20090326271-A1 Preparation of 3-[(1R,2R)-3-(Dimethylamino)-1Ethyl-2-Methylpropyl]phenol GRUENENTHAL GMBH (DE) 2009-12-31 US disclosed
US-20090326271-A1 Preparation of 3-[(1R,2R)-3-(Dimethylamino)-1Ethyl-2-Methylpropyl]phenol GRUENENTHAL GMBH (DE) 2009-12-31 US disclosed
US-20090326271-A1 Preparation of 3-[(1R,2R)-3-(Dimethylamino)-1Ethyl-2-Methylpropyl]phenol GRUENENTHAL GMBH (DE) 2009-12-31 US disclosed
EP-2049464-A1 PREPARATION OF 3-Ý(1R,2R)-3-(DIMETHYLAMINO)-1ETHYL-2-METHYLPROPYL¨PHENOL Grünenthal GmbH (DE) 2009-04-22 EP disclosed
WO-2008012046-A1 PREPARATION OF 3-[(1R,2R)-3-(DIMETHYLAMINO)-1ETHYL-2-METHYLPROPYL]PHENOL Grünenthal GmbH (DE) 2008-01-31 WO disclosed
WO-2008012046-A1 PREPARATION OF 3-[(1R,2R)-3-(DIMETHYLAMINO)-1ETHYL-2-METHYLPROPYL]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 (4 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-20090326271-A1 Preparation of 3-[(1R,2R)-3-(Dimethylamino)-1Ethyl-2-Methylpropyl]phenol CYP1A1, PAH, CYP2E1 MAOB 403/4885NR4A2 843/4885SMPD1 3195/4885
US-12172944-B2 Process for the preparation of tapentadol and analogs thereof CYP1A1, CYP1B1, OPRL1 MAOB 140/4885NR4A2 1452/4885SMPD1 2028/4885
US-20160264521-A1 NOVEL INTERMEDIATE OF TAPENTADOL OPRD1, OPRK1, OPRM1 MAOB 1143/4885NR4A2 1368/4885SMPD1 2627/4885
US-20220177413-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF CYP1A1, CYP1B1, OPRL1 MAOB 140/4885NR4A2 1452/4885SMPD1 2028/4885

“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.