SCHEMBL796597

SCHEMBL796597

O=C(C1CC1)N1CCC(CNC(=O)n2ccnc2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.41
F10 P00742 11/20 0.38
FASN P49327 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL796596 1.00 NAMPT (0.41) NAMPTF10FASNCYP3A4CYP2D6
SCHEMBL11803522 0.77 CD38 (0.43) NAMPTCYP2D6
SCHEMBL5650400 0.76 CYP2B6 (0.45) NAMPTCYP2D6
SCHEMBL1614536 0.75 KDM4E (0.37) NAMPTALDH1A1
SCHEMBL13097363 0.74 NAMPT (0.43) NAMPT
SCHEMBL11909339 0.73 HPGD (0.45) F10FASNALDH1A1
SCHEMBL15081807 0.72 NAMPT (0.57) NAMPT
SCHEMBL4375626 0.71 HDAC3 (0.56)
SCHEMBL4038928 0.70 HTR2A (0.44) ALDH1A1
SCHEMBL13096895 0.70 FAAH (0.51) ALDH1A1

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-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 NAMPT 387/4885F10 2774/4885FASN 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.