SCHEMBL1241650

SCHEMBL1241650

O=C(Nc1ccon1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.35
HCRTR1 O43613 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALPL P05186 2/20 0.32
ALPI P09923 2/20 0.32
ALPG P10696 2/20 0.32
IDH1 O75874 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
PRKCA P17252 3/20 0.31
PRKCQ Q04759 3/20 0.31
HTR2B P41595 2/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL1241651 1.00 DGAT2 (0.35) DGAT2HCRTR1L3MBTL1ALPLALPI
SCHEMBL1241145 0.89 SGMS2 (0.36) HCRTR1IDH1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1240374 0.89 SGMS2 (0.36) HCRTR1IDH1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1241142 0.89 SGMS2 (0.36) HCRTR1IDH1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1240372 0.89 SGMS2 (0.36) HCRTR1IDH1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1241089 0.88 DGAT2 (0.39) DGAT2HCRTR1L3MBTL1ALPLALPI
SCHEMBL1241092 0.88 DGAT2 (0.39) DGAT2HCRTR1L3MBTL1ALPLALPI
SCHEMBL1241085 0.88 DGAT2 (0.39) DGAT2HCRTR1L3MBTL1ALPLALPI
SCHEMBL1238446 0.87 HCRTR1 (0.33) HCRTR1IDH1PRKCAPRKCQHTR2B
SCHEMBL1238442 0.87 HCRTR1 (0.33) HCRTR1IDH1PRKCAPRKCQHTR2B

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 12 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-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-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-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
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 DGAT2 3062/4885HCRTR1 471/4885L3MBTL1 3282/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A DGAT2 3062/4885HCRTR1 471/4885L3MBTL1 3282/4885

“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.