SCHEMBL3100565

SCHEMBL3100565

CS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.70
CCR3 P51677 6/20 0.70
HRH3 Q9Y5N1 11/20 0.68
CYP2D6 P10635 2/20 0.63
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CHRM2 P08172 1/20 0.46

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
SCHEMBL3076252 0.83 HRH3 (0.86) HRH1HRH3CYP2D6KMT2AMEN1
SCHEMBL3087657 0.83 HRH3 (0.65) HRH1CCR3HRH3CYP2D6KMT2A
SCHEMBL5409041 0.83 HRH1 (1.00) HRH1CCR3HRH3
SCHEMBL3101064 0.82 HRH3 (0.80) HRH1HRH3CYP2D6KMT2AMEN1
SCHEMBL10284355 0.82 HRH3 (0.83) HRH1HRH3CYP2D6KMT2AMEN1
SCHEMBL3091092 0.81 HRH3 (0.83) HRH1HRH3CYP2D6KMT2AMEN1
Acetic Acid SCHEMBL4718930 0.80 HRH1 (0.95) HRH1CCR3HRH3
SCHEMBL30032340 0.80 HRH1 (0.73) HRH1CCR3HRH3KMT2AMEN1
SCHEMBL3090967 0.80 HRH3 (0.76) HRH1CCR3HRH3CYP2D6KMT2A
SCHEMBL1809105 0.80 HRH1 (0.72) HRH1CCR3HRH3KMT2A

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 9 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-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
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 HRH1 286/4885CCR3 3740/4885HRH3 211/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH1 947/4885CCR3 4697/4885HRH3 450/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH1 947/4885CCR3 4697/4885HRH3 450/4885

“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.