SCHEMBL1241536

SCHEMBL1241536

NC(=O)c1ncccc1OC[C@H]1CCCN1C(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.52
SCD O00767 1/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
P2RX7 Q99572 1/20 0.38
HCRTR1 O43613 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 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
SCHEMBL1241540 1.00 OPRD1 (0.52) OPRD1SCDROCK2ROCK1TRPV1
SCHEMBL1241525 0.88 PDK2 (0.42) OPRD1SCDKMT2A
SCHEMBL1241528 0.88 PDK2 (0.42) OPRD1SCDKMT2A
SCHEMBL1240517 0.87 SPHK2 (0.46) SCDTRPV1CHRNB4CHRNA3DPP4
SCHEMBL1240514 0.87 SPHK2 (0.46) SCDTRPV1CHRNB4CHRNA3DPP4
SCHEMBL9098945 0.83 SCN9A (0.46) KMT2AHCRTR1
SCHEMBL9098952 0.83 SCN9A (0.46) KMT2AHCRTR1
SCHEMBL1241640 0.81 TRPV1 (0.44) SCDTRPV1KMT2A
SCHEMBL1241642 0.81 TRPV1 (0.44) SCDTRPV1KMT2A
SCHEMBL9105423 0.80 DPP4 (0.42) SCDCHRNB4CHRNA3CYP2D6DPP4

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 OPRD1 1751/4885SCD 1954/4885ROCK2 4560/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A OPRD1 1751/4885SCD 1954/4885ROCK2 4560/4885

“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.