SCHEMBL15024192

SCHEMBL15024192

CCC(c1cccc(C)c1)[C@@H](C)CN(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.70
OPRM1 P35372 1/20 0.70
AOC3 Q16853 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 8/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
ACHE P22303 1/20 0.34
ACP3 P15309 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL13886378 1.00 SLC22A1 (0.70) SLC22A1OPRM1AOC3TAAR1HTR2A
SCHEMBL12311676 1.00 SLC22A1 (0.70) SLC22A1OPRM1AOC3TAAR1HTR2A
SCHEMBL22876014 0.88 SLC22A1 (0.55) SLC22A1OPRM1AOC3TAAR1SLC6A2
SCHEMBL6411376 0.84 SLC22A1 (0.70) SLC22A1OPRM1AOC3HTR2AHRH1
SCHEMBL12162962 0.83 SLC22A1 (0.68) SLC22A1OPRM1AOC3HTR2AHRH1
Tapentadol SCHEMBL147058 0.83 OPRM1 (1.00) SLC22A1OPRM1HTR2AHRH1SLC6A2
Tapentadol SCHEMBL1425181 0.83 OPRM1 (1.00) SLC22A1OPRM1HTR2AHRH1SLC6A2
Tapentadol SCHEMBL416917 0.83 OPRM1 (1.00) SLC22A1OPRM1HTR2AHRH1SLC6A2
Tapentadol SCHEMBL116924 0.83 OPRM1 (1.00) SLC22A1OPRM1HTR2AHRH1SLC6A2
Tapentadol SCHEMBL16266162 0.83 OPRM1 (1.00) SLC22A1OPRM1HTR2AHRH1SLC6A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656765-B1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2021-04-14 EP disclosed
EP-3800179-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2021-04-07 EP disclosed
EP-3650439-B1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2021-02-24 EP disclosed
EP-3656765-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-27 EP disclosed
EP-3653600-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-20 EP disclosed
EP-3650439-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-13 EP disclosed
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US 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 (1 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-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS SLC6A2, SLC6A4, SLC6A6 SLC22A1 1095/4885OPRM1 7/4885AOC3 2345/4885

“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.