SCHEMBL13622141

SCHEMBL13622141

CC(=O)CN1CCSc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 8/20 0.55
NOTUM Q6P988 2/20 0.47
KCNH2 Q12809 1/20 0.42
HSD17B3 P37058 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
DRD4 P21917 1/20 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
SCHEMBL13622143 0.87 RYR2 (0.60) RYR2NOTUMKCNH2MEN1KMT2A
SCHEMBL11627236 0.85 RYR2 (0.44) RYR2NOTUMHSD17B3MEN1KMT2A
SCHEMBL15705417 0.82 RYR2 (0.43) RYR2NOTUM
SCHEMBL9636604 0.80 RYR2 (0.54) RYR2NOTUMKCNH2ALDH1A1
SCHEMBL6867950 0.79 RYR2 (0.65) RYR2
SCHEMBL12226485 0.77 NOTUM (0.55) NOTUMHSD17B3MEN1KMT2AALDH1A1
SCHEMBL7560987 0.77 RYR2 (0.72) RYR2NOTUMKCNH2HSD17B3
SCHEMBL15936312 0.77 RYR2 (0.51) RYR2NOTUMKCNH2KDM4EDRD4
SCHEMBL12226492 0.76 MEN1 (0.61) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL14862467 0.76 RYR2 (0.50) RYR2NOTUMKCNH2KDM4EALDH1A1

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 275/4885NOTUM 336/4885KCNH2 19/4885

“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.