SCHEMBL13622114

SCHEMBL13622114

S=C(N1CCCCC1)N1CCSc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 12/20 0.70
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL6866619 0.82 RYR2 (1.00) RYR2KCNH2ALDH1A1MAPTHPGD
SCHEMBL26344329 0.81 RYR2 (0.52) RYR2
SCHEMBL13622113 0.79 RYR2 (0.50) RYR2KCNH2
SCHEMBL6867029 0.74 RYR2 (1.00) RYR2KCNH2
SCHEMBL9635059 0.74 RYR2 (0.72) RYR2KCNH2
SCHEMBL7560987 0.74 RYR2 (0.72) RYR2KCNH2
SCHEMBL8203455 0.74 RYR2 (0.63) RYR2KCNH2
SCHEMBL6866477 0.74 RYR2 (0.72) RYR2KCNH2
SCHEMBL13622149 0.73 RYR2 (0.71) RYR2KCNH2MEN1KMT2A
SCHEMBL806938 0.72 RYR2 (1.00) RYR2KCNH2

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 275/4885KCNH2 19/4885ALDH1A1 886/4885

“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.