SCHEMBL12515272

SCHEMBL12515272

CN1CC2CC1CC2NOCc1n[nH]c2cc(C3=CCOCC3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.37
▸ HTR1D P28221 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL2088724 0.82 GSK3B (0.49) GSK3B
SCHEMBL12843967 0.78 CHEK1 (0.36) —
SCHEMBL12844169 0.78 HAO1 (0.30) —
SCHEMBL12843966 0.78 P2RX3 (0.35) GSK3B
SCHEMBL12514844 0.77 CHRNA7 (0.36) —
SCHEMBL2087133 0.77 GSK3B (0.57) GSK3B
SCHEMBL12844356 0.76 TRPA1 (0.38) GSK3B
SCHEMBL12844350 0.76 DYRK1A (0.35) GSK3B
SCHEMBL12844071 0.71 GSK3B (0.39) GSK3B
SCHEMBL1176284 0.69 GSK3B (0.45) GSK3BHTR1DIDH1

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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 — — 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885HTR1D 109/4885IDH1 1285/4885

“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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