SCHEMBL1240264

SCHEMBL1240264

COCCNC(=O)c1ncccc1OC[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
GRIN2C Q14957 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KMT2A Q03164 1/20 0.41
VNN1 O95497 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
MAPK1 P28482 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2A P28223 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
SCHEMBL1240267 1.00 ALDH1A1 (0.42) ALDH1A1LMNAGPR52GRIN2CMRGPRX4
SCHEMBL9102502 0.92 SCD (0.43) ALDH1A1LMNAGPR52GRIN2CMRGPRX4
SCHEMBL9102506 0.92 SCD (0.43) ALDH1A1LMNAGPR52GRIN2CMRGPRX4
SCHEMBL1241275 0.88 CCR2 (0.42) ALDH1A1LMNAGRIN2CMRGPRX4KMT2A
SCHEMBL1241273 0.88 CCR2 (0.42) ALDH1A1LMNAGRIN2CMRGPRX4KMT2A
SCHEMBL1241568 0.88 HRH3 (0.46) LMNAMRGPRX4VNN1TRPV1HRH3
SCHEMBL1241570 0.88 HRH3 (0.46) LMNAMRGPRX4VNN1TRPV1HRH3
SCHEMBL9100118 0.87 BRAF (0.45) LMNAPOLBHTR2A
SCHEMBL9100122 0.87 BRAF (0.45) LMNAPOLBHTR2A
SCHEMBL1241560 0.87 SORT1 (0.43) ALDH1A1LMNAKMT2AVNN1TRPV1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3784/4885LMNA 1079/4885GPR52 2295/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ALDH1A1 3784/4885LMNA 1079/4885GPR52 2295/4885

“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.