SCHEMBL973793

SCHEMBL973793

Nc1cc(NC(=O)c2cc3cc(C(F)(F)F)cnc3n2Cc2cccc(F)c2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
PPARG P37231 4/20 0.38
ANO1 Q5XXA6 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
AHR P35869 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL1100150 0.89 ECE1 (0.45) MAOBGRIN1GRIN2BPPARGKDM4E
SCHEMBL973613 0.87 PPARG (0.46) MAOBGRIN1GRIN2BPPARGF10
SCHEMBL1099566 0.85 KCNQ3 (0.48) MAOBGRIN1GRIN2BPPARGMAPT
SCHEMBL1100149 0.84 KCNQ3 (0.49) MAOBGRIN1GRIN2BPPARGMAPT
SCHEMBL1099650 0.83 PPARG (0.40) MAOBGRIN1GRIN2BPPARGKDM4E
SCHEMBL1101536 0.82 NPC1 (0.42) MAOBGRIN1GRIN2BPPARGKDM4E
SCHEMBL2814196 0.82 MAOB (0.49) MAOBGRIN1GRIN2BPPARGKDM4E
SCHEMBL1100887 0.82 ECE1 (0.48) MAOBGRIN1GRIN2BPPARGKDM4E
SCHEMBL926852 0.82 MAOB (0.41) MAOBGRIN1GRIN2BPPARGKDM4E
SCHEMBL1101510 0.82 CXCR1 (0.40) MAOBGRIN1GRIN2BPPARGKDM4E

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 MAOB 242/4885GRIN1 1428/4885GRIN2B 739/4885

“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.