SCHEMBL974348

SCHEMBL974348

Cc1c(-c2ccccc2)nc2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cn12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.47
ROCK1 Q13464 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.42
F10 P00742 2/20 0.42
ABCB1 P08183 1/20 0.41
SCD O00767 1/20 0.41
SERPINE1 P05121 1/20 0.40
CCR2 P41597 1/20 0.40
KMT2A Q03164 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
SCHEMBL973614 0.90 ECE1 (0.47) ECE1PTGDR2F10ABCB1CCR2
SCHEMBL974021 0.82 ECE1 (0.49) ECE1PTGDR2F10ABCB1SCD
SCHEMBL977904 0.79 ECE1 (0.46) ECE1PTGDR2F10ABCB1SCD
SCHEMBL974067 0.79 ECE1 (0.47) ECE1ROCK1PTGDR2F10ABCB1
SCHEMBL974450 0.79 MCHR1 (0.46) ECE1ROCK1PTGDR2F10ABCB1
SCHEMBL974924 0.78 ECE1 (0.49) ECE1F10ABCB1
SCHEMBL974865 0.78 F10 (0.44) ECE1F10ABCB1SCDCCR2
SCHEMBL975576 0.78 ECE1 (0.47) ECE1PTGDR2F10ABCB1CCR2
SCHEMBL976086 0.78 F10 (0.47) ECE1PTGDR2F10ABCB1SCD
SCHEMBL832764 0.77 ECE1 (0.46) ECE1PTGDR2F10CCR2

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 3013/4885ROCK1 2063/4885PTGDR2 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.