SCHEMBL3103994

SCHEMBL3103994

NCCOc1ccc2c(c1)C(Cc1ccccc1Cl)C(N1CCCC1=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 16/20 0.48
KCNH2 Q12809 2/20 0.41
MCHR1 Q99705 1/20 0.36
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3103988 0.88 SLC6A9 (0.44) SLC6A9KCNH2SIGMAR1
SCHEMBL15323951 0.86 SLC6A9 (0.51) SLC6A9KCNH2MCHR1SIGMAR1
Hydrochloric Acid SCHEMBL3094665 0.85 SLC6A9 (0.51) SLC6A9KCNH2MCHR1
SCHEMBL15324460 0.82 SLC6A9 (0.60) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3094651 0.81 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL13097643 0.80 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL15323988 0.77 SLC6A9 (0.51) SLC6A9
Hydrochloric Acid SCHEMBL3098707 0.76 SLC6A9 (0.51) SLC6A9
SCHEMBL15323949 0.75 SLC6A9 (0.48) SLC6A9KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL3094658 0.74 SLC6A9 (0.47) SLC6A9KCNH2SIGMAR1

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 9 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
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 (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 SLC6A9 16/4885KCNH2 1215/4885MCHR1 2234/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 SLC6A9 23/4885KCNH2 1324/4885MCHR1 1946/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 SLC6A9 16/4885KCNH2 1215/4885MCHR1 2234/4885

“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.