SCHEMBL1238397

SCHEMBL1238397

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
SCD O00767 1/20 0.38
IDH1 O75874 2/20 0.38
HCRTR2 O43614 1/20 0.36
SMO Q99835 1/20 0.36
DPP4 P27487 2/20 0.35
ABHD6 Q9BV23 2/20 0.35
DAGLA Q9Y4D2 2/20 0.35
CYP2D6 P10635 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL1238403 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240459 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238400 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241521 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240455 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240280 0.91 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240285 0.91 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240289 0.91 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240534 0.91 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240537 0.91 CHRNB4 (0.40) 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 11 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-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
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-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 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-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
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.