SCHEMBL13622121

SCHEMBL13622121

CC(=O)N1CCSc2ccc(NCc3ccccc3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 15/20 0.58
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
HSD17B3 P37058 1/20 0.52
KCNH2 Q12809 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
SCHEMBL6882871 0.86 RYR2 (0.55) RYR2MAPK1HSD17B3KCNH2
SCHEMBL2639196 0.81 HSD17B3 (0.68) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL807024 0.81 RYR2 (0.50) RYR2HSD17B3KCNH2
SCHEMBL13622119 0.77 RYR2 (0.54) RYR2
SCHEMBL15672241 0.76 RYR2 (0.52) RYR2
SCHEMBL7560987 0.75 RYR2 (0.72) RYR2HSD17B3KCNH2
SCHEMBL12265289 0.74 RYR2 (0.53) RYR2
SCHEMBL26344276 0.74 RYR2 (0.53) RYR2
SCHEMBL807006 0.73 RYR2 (1.00) RYR2
SCHEMBL807117 0.71 RYR2 (0.79) RYR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 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 (1 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-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 RYR2 275/4885GAA 2263/4885MAPT 1124/4885

“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.