SCHEMBL11074

SCHEMBL11074

Nc1cccc(C(F)(F)F)c1NC[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.40
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC9A1 P19634 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
SCD O00767 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 0.38
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
SSTR4 P31391 2/20 0.36
FASN P49327 1/20 0.35

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
SCHEMBL11183 0.85 SCD (0.44) RBP4CYP2C19CYP2C9CYP2D6SLC9A1
SCHEMBL6572 0.84 HTT (0.38) RBP4CYP2C19CYP2C9HTR2BMAPK14
SCHEMBL6574 0.84 HTT (0.38) RBP4CYP2C19CYP2C9HTR2BMAPK14
SCHEMBL11908969 0.84 HPGD (0.39) EPHX2HPGDTSHRFASN
SCHEMBL6393 0.81 ATM (0.39) HPGDTSHRFASN
SCHEMBL6395 0.81 ATM (0.39) HPGDTSHRFASN
SCHEMBL11909167 0.80 JAK1 (0.39) HPGDTSHRFASN
SCHEMBL22605811 0.79 KDM4E (0.53) EPHX2KDM4E
SCHEMBL10298 0.78 F10 (0.41) L3MBTL1FASN
SCHEMBL5641 0.78 SCD (0.42) RBP4CYP2C19CYP2C9CYP2D6SLC9A1

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 RBP4 1870/4885CYP2C19 590/4885CYP2C9 701/4885

“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.