SCHEMBL975216

SCHEMBL975216

CCc1cn2ccc(NC(=O)c3cc4cc(C(F)(F)F)cnc4n3Cc3cccc(F)c3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.37
SCD5 Q86SK9 3/20 0.37
MAOB P27338 1/20 0.36
ACKR3 P25106 3/20 0.36
METTL3 Q86U44 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
FSCN1 Q16658 1/20 0.35
PTGER3 P43115 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
CNR1 P21554 1/20 0.34
ABL1 P00519 1/20 0.34
KIT P10721 1/20 0.34
BCR P11274 1/20 0.34
DDR1 Q08345 1/20 0.34
DDR2 Q16832 1/20 0.34

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
SCHEMBL974351 0.94 MCHR1 (0.40) SCDSCD5MAOBACKR3METTL3
SCHEMBL974077 0.88 KDM4E (0.41) SCDSCD5MAOBACKR3MAPT
SCHEMBL973777 0.83 LMNA (0.38) MAOBACKR3MAPTPPARGGRIN1
SCHEMBL974090 0.82 PPARG (0.43) PPARGMCHR1
SCHEMBL2814196 0.80 MAOB (0.49) MAOBMAPTPPARGGRIN1GRIN2B
SCHEMBL1099566 0.80 KCNQ3 (0.48) SCDSCD5MAOBMAPTPPARG
SCHEMBL1101510 0.80 CXCR1 (0.40) MAOBPPARGGRIN1GRIN2BCNR1
SCHEMBL926852 0.80 MAOB (0.41) SCDMAOBMAPTL3MBTL1PPARG
SCHEMBL973793 0.80 MAOB (0.40) SCDMAOBMAPTPPARGGRIN1
SCHEMBL1099650 0.80 PPARG (0.40) MAOBACKR3MAPTL3MBTL1PPARG

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 6 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 claimed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US claimed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US claimed
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 SCD 4662/4885SCD5 4226/4885MAOB 242/4885

“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.