SCHEMBL3089950

SCHEMBL3089950

CCCS(=O)(=O)N1CC(C(=O)OC)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL27865745 0.80 CYP1A2 (0.48) MAPK1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL1734697 0.76 MMP2 (0.41) MAPK1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL23273950 0.76 TP53 (0.52) SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL19586238 0.75 TP53 (0.39) MAPK1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL13146444 0.74 BRD4 (0.46) SMN1; SMN2MAPTTP53
SCHEMBL3089720 0.74 ALDH1A1 (0.41) MAPK1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL27326295 0.71 ALDH1A1 (0.46) MAPK1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL3097561 0.71 ALDH1A1 (0.40) MAPK1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL31167009 0.70 TP53 (0.64) SMN1; SMN2MAPTTP53ALDH1A1POLB
SCHEMBL19586036 0.70 TP53 (0.46) SMN1; SMN2MAPTTP53ALDH1A1NPC1

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 MAPK1 4006/4885SMN1; SMN2 2982/4885LMNA 3053/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 MAPK1 3887/4885SMN1; SMN2 3342/4885LMNA 3361/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 MAPK1 4006/4885SMN1; SMN2 2982/4885LMNA 3053/4885

“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.