SCHEMBL1241528

SCHEMBL1241528

NC(=O)c1ncccc1OCC1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
CPT2 P23786 3/20 0.41
CPT1A P50416 3/20 0.41
CPT1B Q92523 2/20 0.41
CA2 P00918 2/20 0.41
KMT2A Q03164 1/20 0.40
SCD O00767 1/20 0.40
ABHD6 Q9BV23 3/20 0.40
DAGLA Q9Y4D2 3/20 0.40
SPHK2 Q9NRA0 2/20 0.39
OPRD1 P41143 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
SCN9A Q15858 1/20 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
SCHEMBL1241525 1.00 PDK2 (0.42) PDK2CPT2CPT1ACPT1BCA2
SCHEMBL1241536 0.88 OPRD1 (0.52) KMT2ASCDOPRD1
SCHEMBL1241540 0.88 OPRD1 (0.52) KMT2ASCDOPRD1
SCHEMBL1240514 0.86 SPHK2 (0.46) SCDSPHK2SPHK1
SCHEMBL1240517 0.86 SPHK2 (0.46) SCDSPHK2SPHK1
SCHEMBL1238372 0.82 SPHK2 (0.42) SCDSPHK2SPHK1SCN9A
SCHEMBL9098952 0.82 SCN9A (0.46) KMT2ASMN1; SMN2SCN9A
SCHEMBL9098945 0.82 SCN9A (0.46) KMT2ASMN1; SMN2SCN9A
SCHEMBL1238371 0.82 SPHK2 (0.42) SCDSPHK2SPHK1SCN9A
SCHEMBL1241640 0.80 TRPV1 (0.44) KMT2ASCD

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 PDK2 2778/4885CPT2 1133/4885CPT1A 1246/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A PDK2 2778/4885CPT2 1133/4885CPT1A 1246/4885

“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.