SCHEMBL974021

SCHEMBL974021

Cc1cn2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.49
F10 P00742 4/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.43
ABCB1 P08183 1/20 0.43
MCHR1 Q99705 1/20 0.43
MAPK1 P28482 1/20 0.42
HTR1E P28566 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR3 Q99500 1/20 0.42
CCR2 P41597 1/20 0.42
MAOB P27338 1/20 0.40
SCD O00767 2/20 0.40
SCD5 Q86SK9 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
SCHEMBL977904 0.89 ECE1 (0.46) ECE1F10PTGDR2ABCB1MAPK1
SCHEMBL977067 0.89 ECE1 (0.46) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL974450 0.89 MCHR1 (0.46) ECE1F10PTGDR2ABCB1MCHR1
SCHEMBL974924 0.89 ECE1 (0.49) ECE1F10ABCB1MCHR1MAPK1
SCHEMBL973614 0.88 ECE1 (0.47) ECE1F10PTGDR2ABCB1MCHR1
SCHEMBL976086 0.88 F10 (0.47) ECE1F10PTGDR2ABCB1SCD
SCHEMBL974004 0.84 ECE1 (0.41) ECE1F10ABCB1NPSR1CCR2
SCHEMBL974865 0.83 F10 (0.44) ECE1F10ABCB1CCR2MAOB
SCHEMBL974348 0.82 ECE1 (0.47) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL976277 0.81 F10 (0.45) ECE1F10PTGDR2ABCB1CCR2

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 ECE1 3013/4885F10 2006/4885PTGDR2 2641/4885

“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.