SCHEMBL973614

SCHEMBL973614

Cc1nc2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cn2c1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.47
F10 P00742 4/20 0.46
PTGDR2 Q9Y5Y4 7/20 0.46
ABCB1 P08183 1/20 0.42
CCR2 P41597 1/20 0.41
MCHR1 Q99705 3/20 0.41
MAPK1 P28482 1/20 0.40
HTR1E P28566 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 1/20 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
SCHEMBL974348 0.90 ECE1 (0.47) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL974021 0.88 ECE1 (0.49) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL975576 0.88 ECE1 (0.47) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL14754816 0.83 F10 (0.45) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL977904 0.83 ECE1 (0.46) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL974450 0.83 MCHR1 (0.46) ECE1F10PTGDR2ABCB1CCR2
SCHEMBL974924 0.82 ECE1 (0.49) ECE1F10ABCB1MCHR1MAPK1
SCHEMBL974865 0.82 F10 (0.44) ECE1F10ABCB1CCR2
SCHEMBL976086 0.82 F10 (0.47) ECE1F10PTGDR2ABCB1
SCHEMBL977067 0.81 ECE1 (0.46) 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 10 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
CN-101977910-B Azabicyclic carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2013-08-07 CN claimed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US claimed
CN-101977910-A Azabicyclic carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2011-02-16 CN 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
CN-101977910-B Azabicyclic carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2013-08-07 CN disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
CN-101977910-A Azabicyclic carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2011-02-16 CN 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.