SCHEMBL3087983

SCHEMBL3087983

COCCN(C(=O)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.61
CYP2D6 P10635 2/20 0.59
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH1 P35367 1/20 0.44

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
SCHEMBL3094194 0.87 HRH3 (0.69) HRH3CYP2D6
SCHEMBL3094797 0.85 HRH3 (0.64) HRH3CYP2D6
SCHEMBL3100392 0.84 HRH3 (0.66) HRH3CYP2D6
SCHEMBL3093649 0.82 HRH3 (0.68) HRH3CYP2D6HRH1
SCHEMBL3087981 0.82 HRH3 (0.58) HRH3CYP2D6
SCHEMBL3094454 0.81 HRH3 (0.74) HRH3CYP2D6
SCHEMBL3086369 0.80 HRH3 (0.84) HRH3CYP2D6
SCHEMBL3087990 0.79 HRH3 (0.69) HRH3CYP2D6HRH1
SCHEMBL3097172 0.79 HRH3 (0.72) HRH3CYP2D6
SCHEMBL3089467 0.79 HRH3 (0.72) HRH3CYP2D6HRH1

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 3 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 claimed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US claimed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 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-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885ALDH1A1 867/4885

“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.