SCHEMBL13622143

SCHEMBL13622143

O=C(O)CN1CCSc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 9/20 0.60
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL13622141 0.87 RYR2 (0.55) RYR2KCNH2KDM4EALDH1A1CASP1
SCHEMBL6866663 0.80 RYR2 (0.46) RYR2
SCHEMBL12894396 0.79 RYR2 (0.43) RYR2KCNH2
SCHEMBL15935968 0.79 HTR1A (0.55) RYR2ALDH1A1MAPTKMT2A
SCHEMBL6867057 0.78 RYR2 (0.51) RYR2KCNH2MEN1KMT2A
SCHEMBL15047107 0.78 RYR2 (0.45) RYR2KDM4EMAPT
SCHEMBL15936312 0.78 RYR2 (0.51) RYR2KCNH2KDM4ENOTUMDRD4
SCHEMBL9636604 0.78 RYR2 (0.54) RYR2KCNH2ALDH1A1NOTUM
SCHEMBL3428843 0.77 RYR2 (0.67) RYR2
SCHEMBL14862467 0.77 RYR2 (0.50) RYR2KCNH2KDM4EALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928850-B1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS UNIV COLUMBIA (US) 2013-06-19 EP disclosed
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 275/4885KCNH2 19/4885KDM4E 477/4885

“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.