SCHEMBL3101263

SCHEMBL3101263

O=C(O)NC1CCc2ccc(O)cc2C1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
SLC6A9 P48067 7/20 0.42
TRPV1 Q8NER1 4/20 0.42
SIGMAR1 Q99720 2/20 0.39
SSTR3 P32745 1/20 0.38
CYP26A1 O43174 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
SCHEMBL3108230 0.89 ESR1 (0.48) ESR1ESR2SLC6A9TRPV1CYP26A1
SCHEMBL3100338 0.88 SLC6A9 (0.44) SLC6A9TRPV1SIGMAR1SSTR3
SCHEMBL3097675 0.88 SMN1; SMN2 (0.45) ESR1ESR2SLC6A9TRPV1
SCHEMBL3108816 0.86 TRPV1 (0.50) ESR1ESR2SLC6A9TRPV1SIGMAR1
SCHEMBL15119579 0.86 SLC6A9 (0.41) ESR1ESR2SLC6A9TRPV1SIGMAR1
SCHEMBL3089866 0.85 SLC6A9 (0.40) SLC6A9TRPV1SIGMAR1SSTR3
SCHEMBL14957415 0.85 TRPV1 (0.52) ESR1ESR2SLC6A9TRPV1
SCHEMBL7899510 0.85 SLC6A9 (0.42) ESR1ESR2SLC6A9TRPV1
SCHEMBL3101432 0.80 SLC6A9 (0.65) SLC6A9TRPV1SSTR3
SCHEMBL3100512 0.79 SLC6A9 (0.56) ESR1ESR2SLC6A9

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 4467/4885SLC6A9 23/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 ESR1 4833/4885ESR2 4619/4885SLC6A9 16/4885

“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.