SCHEMBL1269223

SCHEMBL1269223

O=C1OC(c2ccccc2)CN1c1ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.41
▸ FADS1 O60427 7/20 0.40
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HSD11B1 P28845 2/20 0.35
▸ GRM2 Q14416 2/20 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
SCHEMBL1269230 0.83 HTR6 (0.44) HTR6FADS1ROCK2ROCK1HSD11B1
SCHEMBL1268426 0.77 LMNA (0.37) —
SCHEMBL1268280 0.76 PROKR1 (0.39) HTR6
SCHEMBL1269350 0.75 PROKR1 (0.38) HTR6
SCHEMBL1269243 0.74 MCHR1 (0.33) —
SCHEMBL1269325 0.74 SMN1; SMN2 (0.40) HTR6GRM2
SCHEMBL1268804 0.74 PROKR1 (0.36) HTR6
SCHEMBL1269577 0.72 GRM5 (0.33) —
SCHEMBL1268405 0.72 HTR6 (0.55) HTR6FADS1ROCK2ROCK1HSD11B1
SCHEMBL1268334 0.71 ABL1 (0.36) —

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP HTR6 3561/4885FADS1 3210/4885ROCK2 793/4885

“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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