SCHEMBL1241461

SCHEMBL1241461

O=C(Nc1ccno1)c1ncccc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
HCRTR2 O43614 5/20 0.35
HCRTR1 O43613 2/20 0.35
PRKCA P17252 2/20 0.34
FLT3 P36888 2/20 0.34
GSK3B P49841 2/20 0.34
PRKCQ Q04759 2/20 0.34
IDH1 O75874 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL1241463 1.00 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241465 1.00 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9101974 0.88 CHRNB4 (0.37) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9101968 0.88 CHRNB4 (0.37) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241272 0.88 ELANE (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241274 0.88 ELANE (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241270 0.88 ELANE (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238368 0.87 HCRTR1 (0.38) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238362 0.87 HCRTR1 (0.38) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238365 0.87 HCRTR1 (0.38) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4

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 CHRNB4 383/4885CHRNA3 231/4885CHRNB1 654/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A CHRNB4 383/4885CHRNA3 231/4885CHRNB1 654/4885

“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.