SCHEMBL3103349

SCHEMBL3103349

CCCSCCc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(NC(=O)OCC)CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.41
SLC6A9 P48067 3/20 0.41
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPY5R Q15761 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL3099822 0.91 SLC6A9 (0.50) TRPV1SLC6A9NPY5RDRD2DRD3
SCHEMBL3094592 0.90 TRPV1 (0.43) TRPV1SLC6A9KDM4ENPY5RLMNA
SCHEMBL3089507 0.89 TRPV1 (0.42) TRPV1SLC6A9KDM4ENPY5R
SCHEMBL3097316 0.89 TRPV1 (0.42) TRPV1SLC6A9KDM4ENPY5RLMNA
SCHEMBL3094731 0.87 SLC6A9 (0.46) TRPV1SLC6A9KDM4ENPY5R
SCHEMBL3100894 0.85 TRPV1 (0.45) TRPV1SLC6A9KDM4E
SCHEMBL3101162 0.84 TRPV1 (0.42) TRPV1SLC6A9HPGDNPY5RSMN1; SMN2
SCHEMBL3098994 0.83 NPY5R (0.41) TRPV1SLC6A9KDM4ENPY5RDRD2
SCHEMBL3094560 0.82 TRPV1 (0.42) TRPV1SLC6A9KDM4E
SCHEMBL3094550 0.79 TRPV1 (0.45) TRPV1SLC6A9NPY5RDRD2DRD3

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 23 patents — showing the first 20. 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
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-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-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-9067871-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-30 US disclosed
US-9067871-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-30 US disclosed
US-9067871-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-30 US disclosed
US-20140031331-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-30 US disclosed
US-20140031331-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-30 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
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
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
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US 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
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 (3 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-20140031331-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 TRPV1 1438/4885SLC6A9 16/4885THRB 901/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 TRPV1 1161/4885SLC6A9 23/4885THRB 667/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 TRPV1 1438/4885SLC6A9 16/4885THRB 901/4885

“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.