SCHEMBL3091291

SCHEMBL3091291

CS(=O)(=O)c1ccc(-c2cnc(Oc3ccc4c(c3)CCN(C3=CC=C3)CC4)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.41
HRH1 P35367 2/20 0.41
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL3086320 0.84 HRH3 (0.52) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3091282 0.81 HRH3 (0.60) HRH3HRH1
SCHEMBL3090947 0.76 HRH3 (0.53) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3089295 0.76 HRH3 (0.55) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL167108 0.76 HRH3 (0.68) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3086218 0.75 HRH3 (0.52) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL1639622 0.75 HRH3 (0.43) HRH3HRH1OPRM1OPRD1
SCHEMBL3090791 0.74 HRH3 (0.61) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL1638999 0.74 HRH3 (0.44) HRH3HRH1
SCHEMBL3091082 0.74 ALDH1A1 (0.48) HRH3HRH1OPRM1OPRD1OPRK1

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 450/4885HRH1 947/4885OPRM1 794/4885

“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.