SCHEMBL2301635

SCHEMBL2301635

CC(C)(C)C(=O)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(Br)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 13/20 0.57
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
FPR2 P25090 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
AOC2 O75106 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
SCHEMBL2301640 1.00 FASN (0.57) FASNDRD2DRD4ALDH1A1HTT
SCHEMBL2354954 0.89 FASN (0.59) FASNALDH1A1MAPT
SCHEMBL14151928 0.88 FASN (0.59) FASNALDH1A1HTTGFERGAA
SCHEMBL14227252 0.87 FASN (0.54) FASNFPR2IDO1TDO2
SCHEMBL2355087 0.87 FASN (0.54) FASNFPR2IDO1TDO2
SCHEMBL2358613 0.87 FASN (0.60) FASNALDH1A1HTTMAPTGAA
SCHEMBL2358609 0.87 FASN (0.60) FASNALDH1A1HTTMAPTGAA
SCHEMBL2356717 0.86 FASN (0.57) FASNALDH1A1HTTGFERGAA
SCHEMBL2355944 0.86 FASN (0.61) FASNALDH1A1HTTGFERMAPT
SCHEMBL2356722 0.86 FASN (0.57) FASNALDH1A1HTTGFERGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 US disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 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-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885DRD2 4628/4885DRD4 4587/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885DRD2 4772/4885DRD4 4743/4885

“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.