SCHEMBL3105756

SCHEMBL3105756

CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.43
SLC6A9 P48067 2/20 0.41
SCN9A Q15858 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL3103463 0.87 SLC6A9 (0.49) NPY5RSLC6A9SCN9ACTSDBACE1
SCHEMBL13097474 0.82 SLC6A9 (0.42) SLC6A9
SCHEMBL3105750 0.82 NPY5R (0.43) NPY5RSLC6A9SCN9ACTSDBACE1
Hydrochloric Acid SCHEMBL3101455 0.81 SLC6A9 (0.42) SLC6A9
SCHEMBL3105840 0.76 SLC6A9 (0.53) NPY5RSLC6A9CTSDBACE1TRPV1
SCHEMBL3094567 0.76 SLC6A9 (0.55) NPY5RSLC6A9TRPV1
SCHEMBL7898434 0.76 SLC6A9 (0.46) NPY5RSLC6A9CTSDBACE1TRPV1
SCHEMBL14964132 0.75 SLC6A9 (0.72) NPY5RSLC6A9TRPV1
SCHEMBL7897106 0.75 SLC6A9 (0.49) NPY5RSLC6A9TRPV1
SCHEMBL13097491 0.74 SLC6A9 (0.42) SLC6A9

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-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-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-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US 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 NPY5R 3115/4885SLC6A9 16/4885SCN9A 1022/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 NPY5R 3122/4885SLC6A9 23/4885SCN9A 1085/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 NPY5R 3115/4885SLC6A9 16/4885SCN9A 1022/4885

“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.