SCHEMBL3082489

SCHEMBL3082489

N#Cc1ccc(S(=O)(=O)N2CCCC2COc2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
CYP2D6 P10635 4/20 0.53
CASP3 P42574 10/20 0.47
CASP7 P55210 8/20 0.47
CASP1 P29466 4/20 0.47
CASP6 P55212 4/20 0.47
CASP2 P42575 2/20 0.44
CASP9 P55211 2/20 0.44
CASP4 P49662 1/20 0.44
CASP8 Q14790 1/20 0.44
KDM2B Q8NHM5 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
SCHEMBL3082484 1.00 HRH3 (0.53) HRH3CYP2D6CASP3CASP7CASP1
SCHEMBL3088003 0.85 HRH3 (0.63) HRH3CYP2D6KDM2B
SCHEMBL3082487 0.85 CASP3 (0.45) CASP3CASP7CASP1CASP6CASP2
SCHEMBL3093335 0.81 HRH3 (0.53) HRH3CYP2D6
SCHEMBL3093346 0.81 HRH3 (0.53) HRH3CYP2D6
SCHEMBL3087443 0.78 HRH3 (0.67) HRH3CYP2D6KDM2B
SCHEMBL3098173 0.78 HRH3 (0.73) HRH3CYP2D6
SCHEMBL3089506 0.77 HRH3 (0.62) HRH3CYP2D6KDM2B
SCHEMBL3089512 0.77 HRH3 (0.62) HRH3CYP2D6KDM2B
SCHEMBL3095121 0.77 HRH3 (0.62) HRH3CYP2D6KDM2B

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 HRH3 211/4885CYP2D6 186/4885CASP3 1047/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885CASP3 730/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885CASP3 730/4885

“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.