SCHEMBL14957415

SCHEMBL14957415

O=C(O)NC1CCc2ccc(O)cc2C1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.52
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
SLC6A9 P48067 2/20 0.47
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 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
SCHEMBL3108230 0.90 ESR1 (0.48) TRPV1ESR1ESR2SLC6A9
SCHEMBL3108816 0.89 TRPV1 (0.50) TRPV1ESR1ESR2SLC6A9
SCHEMBL3100814 0.88 TRPV1 (0.49) TRPV1ESR1ESR2SLC6A9DRD3
SCHEMBL605986 0.88 TRPV1 (0.42) TRPV1ESR1ESR2SLC6A9
SCHEMBL9490339 0.86 TRPV1 (0.57) TRPV1SLC6A9
SCHEMBL3094360 0.86 SLC6A9 (0.50) TRPV1SLC6A9
SCHEMBL14957372 0.86 TRPV1 (0.47) TRPV1ESR1ESR2SLC6A9
SCHEMBL14957700 0.86 TRPV1 (0.47) TRPV1ESR1ESR2SLC6A9
SCHEMBL3101263 0.85 ESR1 (0.43) TRPV1ESR1ESR2SLC6A9
SCHEMBL14962077 0.85 TRPV1 (0.49) TRPV1ESR1ESR2SLC6A9

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-8846741-B2 N-substituted aminobenzocycloheptene, aminotetraline, aminoindane and phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2780328-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP disclosed
US-20130131132-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013072520-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2013-05-23 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 (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-20130131132-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, NMT1 TRPV1 1024/4885ESR1 4191/4885ESR2 2838/4885

“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.