SCHEMBL1241556

SCHEMBL1241556

O=C(NCc1ccccn1)c1ncccc1OC[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.43
PPARG P37231 1/20 0.42
RHOA P61586 2/20 0.42
PHGDH O43175 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 2/20 0.39
SCD O00767 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
VNN1 O95497 1/20 0.38
PKM P14618 1/20 0.38
PABPC1 P11940 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
SCHEMBL1241560 1.00 SORT1 (0.43) SORT1PPARGRHOAPHGDHTRPV1
SCHEMBL1241570 0.92 HRH3 (0.46) TRPV1HRH3LMNASCDVNN1
SCHEMBL1241568 0.92 HRH3 (0.46) TRPV1HRH3LMNASCDVNN1
SCHEMBL9102506 0.88 SCD (0.43) TRPV1ALDH1A1HRH3LMNASCD
SCHEMBL9102502 0.88 SCD (0.43) TRPV1ALDH1A1HRH3LMNASCD
SCHEMBL1241553 0.88 TRPV1 (0.41) RHOAPHGDHTRPV1ALDH1A1HTT
SCHEMBL1241275 0.88 CCR2 (0.42) TRPV1ALDH1A1HRH3LMNATLR7
SCHEMBL1241273 0.88 CCR2 (0.42) TRPV1ALDH1A1HRH3LMNATLR7
SCHEMBL1241557 0.88 TRPV1 (0.41) RHOAPHGDHTRPV1ALDH1A1HTT
SCHEMBL1240267 0.87 ALDH1A1 (0.42) TRPV1ALDH1A1HRH3LMNATLR7

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 SORT1 1688/4885PPARG 3487/4885RHOA 2768/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SORT1 1688/4885PPARG 3487/4885RHOA 2768/4885

“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.