SCHEMBL3101601

SCHEMBL3101601

O=C(O)NC1CCc2ccc(CNS(=O)(=O)CCCF)cc2C1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.65
TRPV1 Q8NER1 9/20 0.40
KCNH2 Q12809 3/20 0.40
NPY5R Q15761 3/20 0.39

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
SCHEMBL3089837 0.90 SLC6A9 (0.81) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL3105649 0.90 SLC6A9 (0.81) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL14957424 0.89 SLC6A9 (0.69) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL14957764 0.89 SLC6A9 (0.64) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL7888223 0.88 SLC6A9 (0.60) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL7896882 0.85 SLC6A9 (0.61) SLC6A9KCNH2
SCHEMBL3103802 0.83 SLC6A9 (0.79) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL14957639 0.83 SLC6A9 (0.57) SLC6A9TRPV1KCNH2NPY5R
Trifluoroacetic Acid SCHEMBL3089911 0.83 SLC6A9 (0.55) SLC6A9KCNH2
SCHEMBL3094360 0.81 SLC6A9 (0.50) SLC6A9TRPV1NPY5R

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 SLC6A9 23/4885TRPV1 1161/4885KCNH2 1324/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 SLC6A9 16/4885TRPV1 1438/4885KCNH2 1215/4885

“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.