SCHEMBL1240374

SCHEMBL1240374

O=C(Nc1ccccn1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.36
IDH1 O75874 1/20 0.35
HCRTR1 O43613 3/20 0.35
GRM5 P41594 4/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM1 Q13255 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1241145 1.00 SGMS2 (0.36) SGMS2IDH1HCRTR1GRM5RXFP1
SCHEMBL1241142 1.00 SGMS2 (0.36) SGMS2IDH1HCRTR1GRM5RXFP1
SCHEMBL1240372 1.00 SGMS2 (0.36) SGMS2IDH1HCRTR1GRM5RXFP1
SCHEMBL1241650 0.89 DGAT2 (0.35) IDH1HCRTR1NPC1RAB9AGAA
SCHEMBL1241651 0.89 DGAT2 (0.35) IDH1HCRTR1NPC1RAB9AGAA
SCHEMBL1238368 0.87 HCRTR1 (0.38) IDH1HCRTR1GRM5MEN1KMT2A
SCHEMBL1238365 0.87 HCRTR1 (0.38) IDH1HCRTR1GRM5MEN1KMT2A
SCHEMBL1238362 0.87 HCRTR1 (0.38) IDH1HCRTR1GRM5MEN1KMT2A
SCHEMBL1238446 0.87 HCRTR1 (0.33) IDH1HCRTR1
SCHEMBL1238442 0.87 HCRTR1 (0.33) IDH1HCRTR1

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 SGMS2 1412/4885IDH1 2680/4885HCRTR1 471/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SGMS2 1412/4885IDH1 2680/4885HCRTR1 471/4885

“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.