SCHEMBL9105328

SCHEMBL9105328

NC(=O)c1ncccc1OCC1CCCN1C(=O)c1ccc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 7/20 0.40
F2 P00734 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
MET P08581 1/20 0.38
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CYP3A4 P08684 1/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 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
SCHEMBL9105324 1.00 P2RX7 (0.42) P2RX7HCRTR1HCRTR2F2CHRNB4
SCHEMBL9103984 0.86 HCRTR1 (0.44) HCRTR1HCRTR2MET
SCHEMBL9103980 0.86 HCRTR1 (0.44) HCRTR1HCRTR2MET
SCHEMBL1241492 0.85 HCRTR1 (0.40) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL1241494 0.85 HCRTR1 (0.40) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9103418 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9103413 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9281079 0.82 HTR7 (0.43) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9281080 0.82 HTR7 (0.43) HCRTR1HCRTR2CHRNB4CHRNA3MET
SCHEMBL9102305 0.80 HCRTR1 (0.43) HCRTR1HCRTR2CHRNB4CHRNA3MET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 P2RX7 183/4885HCRTR1 471/4885HCRTR2 356/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A P2RX7 183/4885HCRTR1 471/4885HCRTR2 356/4885

“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.