SCHEMBL3090791

SCHEMBL3090791

C1=CC(N2CCc3ccc(Oc4cnccn4)cc3CC2)=C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.61
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.39
HRH1 P35367 2/20 0.39
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL3100519 0.84 HRH3 (0.61) HRH3LTA4HPTGS2OPRM1OPRD1
SCHEMBL3094879 0.80 HRH3 (0.58) HRH3HRH1KMT2A
SCHEMBL3094146 0.79 HRH3 (0.39) HRH3HRH1
SCHEMBL3090947 0.79 HRH3 (0.53) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3086218 0.78 HRH3 (0.52) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL418313 0.78 HRH3 (0.39) HRH3SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL3089908 0.77 PDE4B (0.48) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3090688 0.77 HRH3 (0.44) HRH3HRH1
SCHEMBL3089295 0.76 HRH3 (0.55) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL167108 0.76 HRH3 (0.68) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP 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
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP claimed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US claimed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US claimed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP 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 (3 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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 HRH3 211/4885SLC6A2 538/4885SLC6A4 386/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885SLC6A2 183/4885SLC6A4 137/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885SLC6A2 183/4885SLC6A4 137/4885

“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.