SCHEMBL725882

SCHEMBL725882

CCC(c1cccc(O)c1)C(C)CN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.68
SLC22A1 O15245 1/20 0.68
ADRA1A P35348 3/20 0.49
ADRB1 P08588 2/20 0.49
MIF P14174 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
HIF1A Q16665 4/20 0.44
LMNA P02545 4/20 0.44
GALR3 O60755 1/20 0.44
DRD1 P21728 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL15471651 1.00 OPRM1 (0.68) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL15471672 0.88 OPRM1 (0.73) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL16871402 0.88 OPRM1 (0.73) OPRM1SLC22A1ADRA1AADRB1MIF
Hydrochloric Acid SCHEMBL15121412 0.86 OPRM1 (0.63) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL5177521 0.84 OPRM1 (0.67) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL5014485 0.84 OPRM1 (0.67) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL9918287 0.82 OPRM1 (0.66) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL9918290 0.82 OPRM1 (0.66) OPRM1SLC22A1ADRA1AADRB1MIF
Tapentadol SCHEMBL16267909 0.81 OPRM1 (1.00) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL22876032 0.81 OPRM1 (0.64) OPRM1SLC22A1ADRA1AADRB1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850198-B2 Process for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-12-26 US disclosed
US-9850198-B2 Process for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-12-26 US disclosed
US-9850198-B2 Process for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-12-26 US disclosed
EP-2792668-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-05-31 EP disclosed
EP-2792668-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-05-31 EP disclosed
EP-2666765-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-01-04 EP disclosed
EP-2666765-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-01-04 EP disclosed
US-20160257640-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2016-09-08 US disclosed
US-20160257640-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2016-09-08 US disclosed
US-20160257640-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2016-09-08 US disclosed
EP-2666765-A2 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds Grünenthal GmbH (DE) 2013-11-27 EP disclosed
CN-103168025-A Process for preparing substituted 3- (1-amino-2-methylpentane-3-yl) phenyl compounds GRUENENTHAL GMBH 2013-06-19 CN disclosed
EP-2582659-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-(1-AMINO-2-METHYLPENTANE-3-YL)PHENYL COMPOUNDS Grünenthal GmbH (DE) 2013-04-24 EP disclosed
WO-2011157390-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-(1-AMINO-2-METHYLPENTANE-3-YL)PHENYL COMPOUNDS Grünenthal GmbH (DE) 2011-12-22 WO disclosed
WO-2011157390-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-(1-AMINO-2-METHYLPENTANE-3-YL)PHENYL COMPOUNDS Grünenthal GmbH (DE) 2011-12-22 WO disclosed
US-20110306793-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2011-12-15 US disclosed
US-20110306793-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2011-12-15 US disclosed
US-20110306793-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2011-12-15 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 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 (3 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-20160257640-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds CYP51A1, CYP3A4, NPEPPS OPRM1 1144/4885SLC22A1 4864/4885ADRA1A 150/4885
US-20110306793-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds NPEPPS, PNMT, CYP3A4 OPRM1 709/4885SLC22A1 4867/4885ADRA1A 361/4885
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD OPRM1 137/4885SLC22A1 4657/4885ADRA1A 90/4885

“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.