SCHEMBL1241494

SCHEMBL1241494

NC(=O)c1ncccc1OCC1CCCN1C(=O)c1cccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CFD P00746 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CXCR3 P49682 1/20 0.38
MET P08581 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
SOS1 Q07889 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL1241492 1.00 HCRTR1 (0.40) HCRTR1HCRTR2CHRNB4CHRNA3CFD
SCHEMBL9105324 0.85 P2RX7 (0.42) HCRTR1HCRTR2CHRNB4CHRNA3CHRNB1
SCHEMBL9105328 0.85 P2RX7 (0.42) HCRTR1HCRTR2CHRNB4CHRNA3CHRNB1
SCHEMBL9103413 0.83 HCRTR1 (0.44) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9103980 0.83 HCRTR1 (0.44) HCRTR1HCRTR2MET
SCHEMBL9103418 0.83 HCRTR1 (0.44) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9103984 0.83 HCRTR1 (0.44) HCRTR1HCRTR2MET
SCHEMBL10271868 0.79 CHRNB4 (0.48) HCRTR1HCRTR2CHRNB4CHRNA3CHRNB1
SCHEMBL9103292 0.79 CHRNB4 (0.43) HCRTR2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL9103284 0.79 CHRNB4 (0.43) HCRTR2CHRNB4CHRNA3CHRNB1CHRNB2

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
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US claimed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US claimed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO claimed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO 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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HCRTR1 471/4885HCRTR2 356/4885CHRNB4 383/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HCRTR1 471/4885HCRTR2 356/4885CHRNB4 383/4885

“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.