SCHEMBL26344307

SCHEMBL26344307

O=C(N1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCSc2ccccc2C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 9/20 0.76
KCNH2 Q12809 2/20 0.76
FAAH O00519 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SSTR5 P35346 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL12265273 0.87 RYR2 (0.78) RYR2KCNH2
SCHEMBL6867194 0.87 RYR2 (1.00) RYR2KCNH2FAAHSMN1; SMN2KDM4E
SCHEMBL6867816 0.81 RYR2 (0.70) RYR2KCNH2FAAHSMN1; SMN2KDM4E
SCHEMBL806679 0.73 RYR2 (1.00) RYR2KCNH2SMN1; SMN2
SCHEMBL3601029 0.73 FAAH (1.00) FAAHKDM4E
SCHEMBL13309115 0.72 RYR2 (0.74) RYR2KCNH2
SCHEMBL26725907 0.72 FAAH (0.55) KCNH2FAAHSMN1; SMN2MCHR1KDM4E
SCHEMBL6867125 0.72 RYR2 (0.73) RYR2KCNH2MCHR1
SCHEMBL6866619 0.71 RYR2 (1.00) RYR2KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL15672244 0.70 RYR2 (0.51) 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-20230302013-A1 METHOD OF TREATING VIRAL-INDUCED COGNITIVE DYSFUNCTION BY TARGETING LEAKY RyR2 CHANNELS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-09-28 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-20230302013-A1 METHOD OF TREATING VIRAL-INDUCED COGNITIVE DYSFUNCTION BY TARGETING LEAKY RyR2 CHANNELS RYR2, RYR1, CACNB1 RYR2 1/4885KCNH2 293/4885FAAH 1889/4885

“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.