SCHEMBL24460348

SCHEMBL24460348

O=C(N1CCNCC1)N1CCSc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 8/20 0.48
AKR1C3 P42330 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
RBP4 P02753 1/20 0.36
NOTUM Q6P988 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 1/20 0.35
EPHX2 P34913 1/20 0.34
KCNH2 Q12809 1/20 0.34
CA2 P00918 1/20 0.34
CHKA P35790 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
NCF1 P14598 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL29563519 1.00 RYR2 (0.48) RYR2AKR1C3HTR2CHTR2BRBP4
Hydrochloric Acid SCHEMBL29564238 0.99 RYR2 (0.47) RYR2AKR1C3HTR2CHTR2BRBP4
SCHEMBL26942218 0.88 RYR2 (0.60) RYR2AKR1C3NOTUMKCNH2
SCHEMBL29563266 0.83 RYR2 (0.48) RYR2HTR2CHTR2BRBP4SLC6A2
SCHEMBL24460338 0.83 RYR2 (0.48) RYR2HTR2CHTR2BRBP4SLC6A2
Hydrochloric Acid SCHEMBL29563444 0.82 RYR2 (0.47) RYR2HTR2CHTR2BRBP4SLC6A2
SCHEMBL24460437 0.82 RYR2 (0.51) RYR2NOTUMKCNH2CA2CHKA
SCHEMBL24460445 0.82 RYR2 (0.54) RYR2NOTUMKCNH2CA2CHKA
SCHEMBL24460459 0.82 RYR2 (0.51) RYR2NOTUMKCNH2CA2CHKA
SCHEMBL24460447 0.82 RYR2 (0.51) RYR2KCNH2CA2CHKASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399324-A1 AGENTS FOR TREATING DISORDERS INVOLVING RYANODINE RECEPTORS RYCARMA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230399324-A1 AGENTS FOR TREATING DISORDERS INVOLVING RYANODINE RECEPTORS RYCARMA THERAPEUTICS, INC. 2023-12-14 US disclosed
WO-2022108945-A1 AGENTS FOR TREATING DISORDERS INVOLVING RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2022-05-27 WO 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-20230399324-A1 AGENTS FOR TREATING DISORDERS INVOLVING RYANODINE RECEPTORS RYR2, RYR1, ATP2A1 RYR2 1/4885AKR1C3 2428/4885HTR2C 701/4885

“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.