SCHEMBL1239306

SCHEMBL1239306

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.37
RBP4 P02753 3/20 0.37
TTR P02766 3/20 0.37
ELANE P08246 1/20 0.35
GRM1 Q13255 1/20 0.34
NR1H2 P55055 7/20 0.33
NR1H3 Q13133 7/20 0.33
SLC18A3 Q16572 1/20 0.33
ENPP2 Q13822 1/20 0.33
HCRTR1 O43613 1/20 0.32

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
SCHEMBL1239309 1.00 IDH1 (0.37) IDH1RBP4TTRELANEGRM1
SCHEMBL1240263 0.89 ELANE (0.40) IDH1RBP4ELANEGRM1HCRTR1
SCHEMBL1240271 0.89 ELANE (0.40) IDH1RBP4ELANEGRM1HCRTR1
SCHEMBL1238534 0.87 SCD (0.41) IDH1HCRTR1
SCHEMBL1238533 0.87 SCD (0.41) IDH1HCRTR1
SCHEMBL1241142 0.86 SGMS2 (0.36) IDH1GRM1NR1H2NR1H3HCRTR1
SCHEMBL1240374 0.86 SGMS2 (0.36) IDH1GRM1NR1H2NR1H3HCRTR1
SCHEMBL1241145 0.86 SGMS2 (0.36) IDH1GRM1NR1H2NR1H3HCRTR1
SCHEMBL1240372 0.86 SGMS2 (0.36) IDH1GRM1NR1H2NR1H3HCRTR1
SCHEMBL1240280 0.85 CHRNB4 (0.40) IDH1RBP4TTRELANE

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.