SCHEMBL11953

SCHEMBL11953

Nc1cc(F)ccc1NC[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
HDAC2 Q92769 6/20 0.43
FASN P49327 4/20 0.42
PTGER4 P35408 1/20 0.41
HDAC1 Q13547 5/20 0.40
MGLL Q99685 1/20 0.40
HSD11B1 P28845 1/20 0.39
HDAC3 O15379 3/20 0.39
GAA P10253 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL4032 0.91 HDAC2 (0.48) NPY5RHDAC2FASNHDAC1MGLL
SCHEMBL4030 0.91 HDAC2 (0.48) NPY5RHDAC2FASNHDAC1MGLL
SCHEMBL12076614 0.86 PTGER4 (0.46) PTGER4CHRM3
SCHEMBL11908275 0.86 PTGER4 (0.46) PTGER4CHRM3
SCHEMBL12076494 0.86 LIPC (0.48) PTGER4GAA
SCHEMBL10580 0.86 LIPC (0.48) PTGER4GAA
SCHEMBL6060 0.84 FASN (0.44) FASNPTGER4GAA
SCHEMBL10321 0.84 ALDH1A1 (0.48) FASNPTGER4
SCHEMBL6062 0.84 FASN (0.44) FASNPTGER4GAA
SCHEMBL10298 0.83 F10 (0.41) HDAC2FASNHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (1 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 NPY5R 4671/4885HDAC2 417/4885FASN 1/4885

“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.