SCHEMBL3108230

SCHEMBL3108230

O=C(O)NC1CCc2ccc(O)cc2C1Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.48
ESR2 Q92731 6/20 0.48
TRPV1 Q8NER1 6/20 0.48
CYP26A1 O43174 4/20 0.42
SLC6A9 P48067 1/20 0.40
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL14957415 0.90 TRPV1 (0.52) ESR1ESR2TRPV1SLC6A9
SCHEMBL3101263 0.89 ESR1 (0.43) ESR1ESR2TRPV1CYP26A1SLC6A9
SCHEMBL3108816 0.88 TRPV1 (0.50) ESR1ESR2TRPV1SLC6A9
SCHEMBL3108596 0.87 ESR1 (0.43) ESR1ESR2TRPV1SLC6A9NQO2
SCHEMBL7887012 0.86 TRPV1 (0.49) ESR1ESR2TRPV1SLC6A9
SCHEMBL15119570 0.85 ESR1 (0.43) ESR1ESR2TRPV1CYP26A1SLC6A9
SCHEMBL3101507 0.85 TRPV1 (0.45) TRPV1SLC6A9
SCHEMBL7896611 0.84 ESR1 (0.42) ESR1ESR2TRPV1SLC6A9
SCHEMBL3105811 0.84 TRPV1 (0.45) TRPV1SLC6A9
SCHEMBL16848284 0.82 TRPV1 (0.39) TRPV1SLC6A9

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-2396296-B1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2016-05-25 EP disclosed
US-9096619-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-08-04 US disclosed
US-8563617-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2013-10-22 US disclosed
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2013-07-18 US disclosed
EP-2396296-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-12-21 EP disclosed
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US disclosed
WO-2010092180-A1 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO. KG (DE) 2010-08-19 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-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 ESR1 4787/4885ESR2 4467/4885TRPV1 1161/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 ESR1 4833/4885ESR2 4619/4885TRPV1 1438/4885

“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.