SCHEMBL974351

SCHEMBL974351

O=C(Nc1ccn2cc(CO)nc2c1)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
MAOB P27338 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PPARG P37231 2/20 0.36
CNR2 P34972 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ACKR3 P25106 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
METTL3 Q86U44 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCD O00767 3/20 0.34
SCD5 Q86SK9 2/20 0.34
GRM4 Q14833 1/20 0.34
FSCN1 Q16658 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
SCHEMBL975216 0.94 SCD (0.37) MCHR1MAOBGRIN1GRIN2BPPARG
SCHEMBL974090 0.88 PPARG (0.43) MCHR1PPARG
SCHEMBL974077 0.86 KDM4E (0.41) MAOBACKR3MAPTL3MBTL1SCD
SCHEMBL973777 0.83 LMNA (0.38) MAOBGRIN1GRIN2BPPARGUBE2M
SCHEMBL975637 0.82 F10 (0.43) MAOBPPARGCNR2MAPTL3MBTL1
SCHEMBL1099566 0.81 KCNQ3 (0.48) MAOBGRIN1GRIN2BPPARGCYP3A4
SCHEMBL973793 0.81 MAOB (0.40) MAOBGRIN1GRIN2BPPARGUBE2M
SCHEMBL1100150 0.80 ECE1 (0.45) MAOBGRIN1GRIN2BPPARGMAPT
SCHEMBL1100149 0.80 KCNQ3 (0.49) MAOBGRIN1GRIN2BPPARGCYP3A4
SCHEMBL2814196 0.80 MAOB (0.49) MAOBGRIN1GRIN2BPPARGCYP3A4

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 5 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
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 MCHR1 3657/4885MAOB 242/4885GRIN1 1428/4885

“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.