SCHEMBL15547247

SCHEMBL15547247

CCC[C@@H](C)C(c1ccc(O)cc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 6/20 0.46
CYP2C9 P11712 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 2/20 0.42
OPRM1 P35372 2/20 0.42
SLC6A3 Q01959 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CHRM1 P11229 1/20 0.42
ALOX15 P16050 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 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
SCHEMBL19402428 0.85 ESR1 (0.50) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL14891094 0.78 ESR1 (0.49) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL2414855 0.77 ESR1 (0.52) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL17571720 0.77 ESR1 (0.52) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL19645455 0.76 ESR1 (0.50) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL19402465 0.74 KAT2B (0.44) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL19397756 0.73 ESR1 (0.48) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL93780 0.72 ESR1 (0.57) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL2566197 0.72 ESR1 (0.56) ESR1ESR2CYP2C9TDP1SLC6A2
SCHEMBL28445716 0.71 ESR1 (0.46) ESR1ESR2CYP2C9TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632195-B2 Pharmaceutical device for electric-field assisted administration of Tapentadol and method of administering Tapentadol with same GRUENENTHAL GMBH (DE) 2020-04-28 US disclosed
US-20150148735-A1 Electric-Field Assisted Administration of Tapentadol GRUENENTHAL GMBH (DE) 2015-05-28 US disclosed
EP-2874693-A1 ELECTRIC-FIELD ASSISTED ADMINISTRATION OF TAPENTADOL Grünenthal GmbH (DE) 2015-05-27 EP disclosed
WO-2014012652-A1 ELECTRIC-FIELD ASSISTED ADMINISTRATION OF TAPENTADOL Grünenthal GmbH (DE) 2014-01-23 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 (2 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-20150148735-A1 Electric-Field Assisted Administration of Tapentadol SLC1A1, SLC6A2, SLC9A3 ESR1 1234/4885ESR2 887/4885CYP2C9 277/4885
US-10632195-B2 Pharmaceutical device for electric-field assisted administration of Tapentadol and method of administering Tapentadol with same SLC6A2, SLC9A2, ATP1A2 ESR1 1553/4885ESR2 1117/4885CYP2C9 128/4885

“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.