SCHEMBL3333687

SCHEMBL3333687

N#Cc1ccc(Oc2ccc3c(c2)CCC(C2CCC2)NC3)nc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
HRH3 Q9Y5N1 16/20 0.43
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL3333692 0.80 PDE4B (0.47) PDE4BHRH3HRH1OPRM1
SCHEMBL3712281 0.80 HRH3 (0.62) HRH3OPRM1
SCHEMBL1874992 0.78 HRH3 (0.64) HRH3HRH1OPRM1
Hydrochloric Acid SCHEMBL4438262 0.77 HRH3 (0.63) HRH3HRH1OPRM1
SCHEMBL3089905 0.76 HRH3 (0.65) HRH3HRH1
SCHEMBL1873259 0.74 HRH3 (0.64) HRH3HRH1
SCHEMBL6268375 0.70 HRH3 (0.56) HRH3HRH1
SCHEMBL3653092 0.68 HRH3 (0.52) PDE4BHRH3
SCHEMBL3089908 0.67 PDE4B (0.48) PDE4BHRH3HRH1OPRM1
SCHEMBL4363971 0.67 SLC8A1 (0.56)

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-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 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-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B PDE4B 1098/4885HRH3 450/4885HRH1 947/4885

“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.