SCHEMBL973613

SCHEMBL973613

Nc1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2Cc2cccc(F)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.46
CCR2 P41597 1/20 0.44
ECE1 P42892 2/20 0.44
MAOB P27338 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL975228 0.91 F10 (0.48) CCR2ECE1MAOBF10
SCHEMBL973793 0.87 MAOB (0.40) PPARGECE1MAOBGRIN1GRIN2B
SCHEMBL3150083 0.82 NPC1 (0.48) PPARGCCR2ECE1
SCHEMBL3154163 0.82 PPARG (0.47) PPARGCCR2ECE1
SCHEMBL3157525 0.82 NPC1 (0.48) PPARGCCR2ECE1MAOB
SCHEMBL3149353 0.81 ECE1 (0.48) PPARGCCR2ECE1MAOB
SCHEMBL4656151 0.81 PPARG (0.49) PPARGCCR2ECE1MAOB
SCHEMBL4150551 0.81 PPARG (0.46) PPARGCCR2ECE1GRIN1GRIN2B
SCHEMBL926224 0.81 TNIK (0.49) PPARGCCR2ECE1MAOBGRIN1
SCHEMBL3149104 0.80 PPARG (0.44) PPARGCCR2ECE1

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-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 PPARG 1906/4885CCR2 2204/4885ECE1 3013/4885

“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.