SCHEMBL9101713

SCHEMBL9101713

Cc1ccc(CCC(=O)N2CCC[C@@H]2COc2cccnc2C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38

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
SCHEMBL9101720 1.00 PRCP (0.44) PRCPCHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL10271868 0.82 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL10221885 0.79 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241540 0.79 OPRD1 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1241536 0.79 OPRD1 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240500 0.78 ALOX5AP (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240503 0.78 ALOX5AP (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9103292 0.77 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9103284 0.77 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9105526 0.76 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4

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 4 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

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 PRCP 1646/4885CHRNB4 383/4885CHRNA3 231/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A PRCP 1646/4885CHRNB4 383/4885CHRNA3 231/4885

“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.