SCHEMBL1241225

SCHEMBL1241225

O=C(O)c1ncccc1OC[C@H]1C[C@@H](OCOCc2ccccc2)CN1C(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
LIPG Q9Y5X9 2/20 0.33
FFAR1 O14842 1/20 0.32
ELANE P08246 1/20 0.32
BDKRB2 P30411 1/20 0.32
ABHD6 Q9BV23 3/20 0.32
DAGLA Q9Y4D2 3/20 0.32
ENPP2 Q13822 1/20 0.32
GRM1 Q13255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NR1H2 P55055 4/20 0.31
NR1H3 Q13133 4/20 0.31
LPL P06858 1/20 0.31
LIPC P11150 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL1241221 1.00 IDH1 (0.34) IDH1RBP4TTRLIPGFFAR1
SCHEMBL1238504 0.91 ELANE (0.36) IDH1FFAR1ELANEABHD6DAGLA
SCHEMBL1238501 0.91 ELANE (0.36) IDH1FFAR1ELANEABHD6DAGLA
SCHEMBL1241113 0.90 SGMS2 (0.38) IDH1LMNA
SCHEMBL1241112 0.90 SGMS2 (0.38) IDH1LMNA
SCHEMBL1241518 0.88 LRRK2 (0.35)
SCHEMBL1241522 0.88 LRRK2 (0.35)
SCHEMBL1241104 0.87 DGAT2 (0.35) LMNASCD
SCHEMBL1241106 0.87 DGAT2 (0.35) LMNASCD
SCHEMBL1239309 0.83 IDH1 (0.37) IDH1RBP4TTRELANEENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDH1 2680/4885RBP4 4631/4885TTR 379/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A IDH1 2680/4885RBP4 4631/4885TTR 379/4885

“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.