SCHEMBL3100231

SCHEMBL3100231

CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(NC(=O)O)CC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.56
TRPV1 Q8NER1 3/20 0.41
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 3/20 0.37
NPY5R Q15761 1/20 0.34
TBXA2R P21731 2/20 0.34
GAA P10253 1/20 0.33
KCNA5 P22460 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
SCHEMBL7897106 0.89 SLC6A9 (0.49) SLC6A9TRPV1CYP3A4KCNH2NPY5R
SCHEMBL3106071 0.87 SLC6A9 (0.64) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL3094567 0.87 SLC6A9 (0.55) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL7895382 0.85 SLC6A9 (0.61) SLC6A9CYP3A4KCNH2
SCHEMBL3100351 0.85 SLC6A9 (0.54) SLC6A9TRPV1KCNH2NPY5R
Hydrochloric Acid SCHEMBL3100053 0.84 SLC6A9 (0.61) SLC6A9CYP3A4KCNH2
SCHEMBL15441511 0.83 SLC6A9 (0.46) SLC6A9TRPV1CYP3A4KCNH2TBXA2R
SCHEMBL7891996 0.82 SLC6A9 (0.67) SLC6A9KCNH2NPY5R
SCHEMBL3089837 0.82 SLC6A9 (0.81) SLC6A9TRPV1KCNH2NPY5R
SCHEMBL3105649 0.82 SLC6A9 (0.81) SLC6A9TRPV1KCNH2NPY5R

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 1161/4885CYP3A4 339/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 SLC6A9 16/4885TRPV1 1438/4885CYP3A4 372/4885

“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.