SCHEMBL1241247

SCHEMBL1241247

CC(C)(C)OC(=O)N1CCCC1COc1cncc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 3/20 0.50
ALOX5AP P20292 3/20 0.47
CHRNB1 P11230 2/20 0.47
CHRNB3 Q05901 2/20 0.47
FEN1 P39748 1/20 0.46
CHRNA2 Q15822 1/20 0.45

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
SCHEMBL1241249 1.00 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL7370320 1.00 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL7475269 0.94 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL7412103 0.94 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL6586668 0.88 CHRNB4 (0.66) CHRNB2CHRNA3CHRNB4ALOX5APCHRNB1
SCHEMBL14941814 0.87 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL3357692 0.87 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL6587123 0.87 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL3934735 0.87 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP
SCHEMBL2495176 0.87 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB4ALOX5AP

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 CHRNB2 292/4885CHRNA3 231/4885CHRNA4 306/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A CHRNB2 292/4885CHRNA3 231/4885CHRNA4 306/4885

“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.