SCHEMBL1240271

SCHEMBL1240271

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
IDH1 O75874 3/20 0.35
HCRTR1 O43613 3/20 0.35
BRD4 O60885 1/20 0.35
OPRK1 P41145 1/20 0.33
GRM1 Q13255 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
HCRTR2 O43614 2/20 0.33
RBP4 P02753 1/20 0.32
PIK3CD O00329 1/20 0.32
MAPT P10636 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 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
SCHEMBL1240263 1.00 ELANE (0.40) ELANEIDH1HCRTR1BRD4OPRK1
SCHEMBL1239309 0.89 IDH1 (0.37) ELANEIDH1HCRTR1GRM1RBP4
SCHEMBL1239306 0.89 IDH1 (0.37) ELANEIDH1HCRTR1GRM1RBP4
SCHEMBL16107004 0.86 CHRNB4 (0.41) ELANEIDH1HCRTR1OPRK1HCRTR2
SCHEMBL1241196 0.86 CHRNB4 (0.41) ELANEIDH1HCRTR1OPRK1HCRTR2
SCHEMBL1240270 0.86 CHRNB4 (0.41) ELANEIDH1HCRTR1OPRK1HCRTR2
SCHEMBL1240275 0.86 CHRNB4 (0.41) ELANEIDH1HCRTR1OPRK1HCRTR2
SCHEMBL1240274 0.86 CHRNB4 (0.41) ELANEIDH1HCRTR1OPRK1HCRTR2
SCHEMBL1241199 0.86 CHRNB4 (0.41) ELANEIDH1HCRTR1OPRK1HCRTR2
SCHEMBL1238501 0.83 ELANE (0.36) ELANEIDH1HCRTR1HCRTR2

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 ELANE 2707/4885IDH1 2680/4885HCRTR1 471/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ELANE 2707/4885IDH1 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.