SCHEMBL4400291

SCHEMBL4400291

CNC(=O)c1ccc(Oc2ccc3c(c2)CC(N2CCC[C@H]2C)C3)nc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.64
HRH1 P35367 1/20 0.48
OPRM1 P35372 7/20 0.40
OPRD1 P41143 7/20 0.40
OPRK1 P41145 5/20 0.40

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
SCHEMBL4391275 1.00 HRH3 (0.64) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL13590993 0.87 HRH3 (0.66) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL4400008 0.87 HRH3 (0.66) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL4396046 0.85 HRH3 (0.72) HRH3HRH1
SCHEMBL4400226 0.85 HRH3 (0.71) HRH3HRH1
SCHEMBL4398407 0.85 HRH3 (0.71) HRH3HRH1
SCHEMBL4398387 0.81 HRH3 (0.43) HRH3HRH1
Gsk189254 SCHEMBL169579 0.78 HRH3 (1.00) HRH3HRH1
[11C]Gsk-189254 SCHEMBL13217225 0.78 HRH3 (1.00) HRH3HRH1
Gsk189254 SCHEMBL29769888 0.78 HRH3 (1.00) HRH3HRH1

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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 US claimed

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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, INMT, INA HRH3 2097/4885HRH1 2957/4885OPRM1 582/4885

“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.