SCHEMBL20296332

SCHEMBL20296332

NC(=O)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.42
▸ FAAH O00519 1/20 0.40
▸ PRKDC P78527 1/20 0.39

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
SCHEMBL22227676 0.87 CNR2 (0.50) CNR2PIK3CAHDAC6FAAHPRKDC
SCHEMBL20296779 0.87 CNR2 (0.44) CNR2HRH3HDAC6
SCHEMBL3468711 0.83 HRH3 (0.52) CNR2HRH3HDAC6
SCHEMBL18344030 0.82 — —
SCHEMBL20296780 0.82 HDAC6 (0.45) HDAC6
SCHEMBL28821900 0.80 HDAC6 (0.49) CNR2HRH3HDAC6FAAH
SCHEMBL28821901 0.78 HRH3 (0.48) CNR2HRH3HDAC6FAAH
SCHEMBL20296307 0.78 HDAC6 (0.48) HRH3HDAC6
SCHEMBL20296430 0.78 MGLL (0.44) CNR2PIK3CAHDAC6
SCHEMBL20296507 0.78 HDAC6 (0.48) HDAC6

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-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 — — 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-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB CNR2 3518/4885PIK3CA 1845/4885HRH3 2715/4885

“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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