SCHEMBL1240495

SCHEMBL1240495

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccnc1C(=O)Nc1ncco1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.43
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR119 Q8TDV5 2/20 0.38

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
SCHEMBL1240493 1.00 F2RL3 (0.43) F2RL3CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241581 0.83 F2RL3 (0.47) F2RL3CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240615 0.83 F2RL3 (0.47) F2RL3CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240420 0.82 F2RL3 (0.43) F2RL3CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240418 0.82 F2RL3 (0.43) F2RL3CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241531 0.82 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240516 0.82 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241510 0.82 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238449 0.82 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238444 0.82 CHRNB4 (0.36) 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 5 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
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 F2RL3 3167/4885CHRNB4 383/4885CHRNA3 231/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A F2RL3 3167/4885CHRNB4 383/4885CHRNA3 231/4885

“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.