SCHEMBL21419563

SCHEMBL21419563

CCC(C)c1cn(C(C)CC)nn1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.35

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
SCHEMBL22280519 1.00 ACHE (0.35) ACHE
SCHEMBL18790863 0.86 IDO1 (0.34) —
SCHEMBL21419598 0.86 ACHE (0.36) ACHE
SCHEMBL2935859 0.76 ACHE (0.37) ACHE
SCHEMBL12854187 0.76 PGR (0.32) —
SCHEMBL25141974 0.74 IDO1 (0.36) —
SCHEMBL20333327 0.74 — —
SCHEMBL18755609 0.74 ACHE (0.36) ACHE
SCHEMBL20926022 0.74 CYP19A1 (0.40) ACHE
SCHEMBL21480920 0.72 IDO1 (0.35) —

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-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITA DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2019-10-03 — — 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-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF STIM1, ORAI1, SARAF ACHE 2859/4885

“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.

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