SCHEMBL1241089

SCHEMBL1241089

O=C(Nc1ccon1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
HCRTR1 O43613 3/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKCA P17252 1/20 0.33
FLT3 P36888 1/20 0.33
HTR2B P41595 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
SCHEMBL1241085 1.00 DGAT2 (0.39) DGAT2HCRTR1CHRNB4CHRNA3CHRNB1
SCHEMBL1241092 1.00 DGAT2 (0.39) DGAT2HCRTR1CHRNB4CHRNA3CHRNB1
SCHEMBL1238368 0.89 HCRTR1 (0.38) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1238365 0.89 HCRTR1 (0.38) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1238362 0.89 HCRTR1 (0.38) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241650 0.88 DGAT2 (0.35) DGAT2HCRTR1L3MBTL1ALPLALPI
SCHEMBL1241651 0.88 DGAT2 (0.35) DGAT2HCRTR1L3MBTL1ALPLALPI
SCHEMBL1238434 0.88 TSHR (0.39) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1238437 0.88 TSHR (0.39) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1238435 0.88 TSHR (0.39) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2

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 DGAT2 3062/4885HCRTR1 471/4885CHRNB4 383/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A DGAT2 3062/4885HCRTR1 471/4885CHRNB4 383/4885

“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.