SCHEMBL974924

SCHEMBL974924

CC(C)(C)c1cn2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 2/20 0.49
HTR1E P28566 1/20 0.49
S1PR3 Q99500 1/20 0.49
MCHR1 Q99705 1/20 0.46
F10 P00742 4/20 0.45
ABCB1 P08183 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.41

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
SCHEMBL973562 0.90 ECE1 (0.46) ECE1NPSR1MAPK1HTR1ES1PR3
SCHEMBL974021 0.89 ECE1 (0.49) ECE1NPSR1MAPK1HTR1ES1PR3
SCHEMBL977904 0.87 ECE1 (0.46) ECE1NPSR1MAPK1HTR1ES1PR3
SCHEMBL974450 0.87 MCHR1 (0.46) ECE1NPSR1MAPK1HTR1ES1PR3
SCHEMBL976086 0.84 F10 (0.47) ECE1F10ABCB1MAPT
SCHEMBL973614 0.82 ECE1 (0.47) ECE1NPSR1MAPK1HTR1ES1PR3
SCHEMBL974004 0.82 ECE1 (0.41) ECE1NPSR1F10ABCB1MAPT
SCHEMBL974865 0.81 F10 (0.44) ECE1F10ABCB1
SCHEMBL974348 0.78 ECE1 (0.47) ECE1F10ABCB1
SCHEMBL977067 0.78 ECE1 (0.46) ECE1F10ABCB1

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 3013/4885NPSR1 1071/4885MAPK1 3084/4885

“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.