SCHEMBL3492975

SCHEMBL3492975

CON(C)C(=O)COc1nnc(-c2ccc3c(c2)CCO3)o1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.47
▸ NPC1 O15118 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC6A9 P48067 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ DYRK1A Q13627 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
SCHEMBL3492192 0.84 GSK3B (0.51) GSK3BNOTUMDYRK1A
SCHEMBL3491483 0.82 GSK3B (0.52) GSK3BNPC1CLK1RAB9A
SCHEMBL15117500 0.73 GSK3B (0.47) GSK3BNPC1CLK1RAB9A
SCHEMBL3490598 0.69 GSK3B (0.68) GSK3BNPC1RAB9A
SCHEMBL3493802 0.69 GSK3B (0.54) GSK3BNPC1CLK1RAB9A
SCHEMBL3492058 0.69 NPC1 (0.61) GSK3BNPC1RAB9A
SCHEMBL3491221 0.68 GSK3B (0.60) GSK3BDYRK1A
SCHEMBL1922990 0.67 PRKCI (0.51) NPC1RAB9A
SCHEMBL3490039 0.67 GSK3B (0.66) GSK3BDYRK1A
SCHEMBL3492649 0.67 POLB (0.69) GSK3BNPC1RAB9A

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
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 — — US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885NPC1 1571/4885CLK1 2065/4885

“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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