SCHEMBL1049568

SCHEMBL1049568

Cc1nc2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
ECE1 P42892 6/20 0.44
GRIN1 Q05586 6/20 0.44
GRIN2B Q13224 6/20 0.44
MAOB P27338 1/20 0.41
CCR2 P41597 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40

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
SCHEMBL3153567 0.88 ECE1 (0.48) F10ECE1MAOBCCR2PTGDR2
SCHEMBL3153583 0.86 ECE1 (0.48) F10ECE1MAOBCCR2PTGDR2
SCHEMBL1052362 0.83 NPC1 (0.46) F10ECE1MAOBCCR2PTGDR2
SCHEMBL1053172 0.83 F10 (0.45) F10ECE1MAOBCCR2PTGDR2
SCHEMBL1053385 0.83 F10 (0.46) F10ECE1MAOBCCR2PTGDR2
SCHEMBL927456 0.83 TNIK (0.53) F10ECE1MAOBCCR2
SCHEMBL1049577 0.83 NPC1 (0.48) F10ECE1MAOBCCR2
SCHEMBL926597 0.81 F10 (0.44) F10ECE1MAOBCCR2
SCHEMBL1051409 0.81 F10 (0.44) F10ECE1MAOBCCR2
SCHEMBL4145734 0.81 F10 (0.46) F10ECE1GRIN1GRIN2BMAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP claimed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US claimed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-8604050-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-12-10 US disclosed
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP disclosed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US disclosed
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-04 US disclosed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, 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 (2 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-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 F10 1624/4885ECE1 3289/4885GRIN1 986/4885
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 F10 1624/4885ECE1 3289/4885GRIN1 986/4885

“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.