SCHEMBL1238372

SCHEMBL1238372

NC(=O)c1ncccc1OCC1CCCN1C(=O)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.42
SPHK1 Q9NYA1 2/20 0.42
SCN9A Q15858 2/20 0.41
CHEK2 O96017 1/20 0.40
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
HCRTR2 O43614 3/20 0.38
SCD O00767 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HCRTR1 O43613 1/20 0.38
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL1238371 1.00 SPHK2 (0.42) SPHK2SPHK1SCN9ACHEK2LCK
SCHEMBL1240507 0.90 HRH3 (0.41) SPHK2SPHK1SCN9ACHEK2MET
SCHEMBL1240504 0.90 HRH3 (0.41) SPHK2SPHK1SCN9ACHEK2MET
SCHEMBL1240517 0.90 SPHK2 (0.46) SPHK2SPHK1METHCRTR2SCD
SCHEMBL1240514 0.90 SPHK2 (0.46) SPHK2SPHK1METHCRTR2SCD
SCHEMBL16107174 0.86 CNR2 (0.45) METHCRTR2SCDHCRTR1CHRNB1
SCHEMBL16107175 0.86 CNR2 (0.45) METHCRTR2SCDHCRTR1CHRNB1
SCHEMBL1241640 0.84 TRPV1 (0.44) SCDALDH1A1POLB
SCHEMBL1241642 0.84 TRPV1 (0.44) SCDALDH1A1POLB
SCHEMBL1241528 0.82 PDK2 (0.42) SPHK2SPHK1SCN9ASCD

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 SPHK2 1588/4885SPHK1 1802/4885SCN9A 37/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SPHK2 1588/4885SPHK1 1802/4885SCN9A 37/4885

“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.