SCHEMBL3082487

SCHEMBL3082487

N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2COc2ccc3c(c2)CCN(C2=CC=C2)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.45
CASP7 P55210 14/20 0.45
CASP6 P55212 8/20 0.45
CASP1 P29466 6/20 0.45
CASP2 P42575 2/20 0.43
CASP9 P55211 2/20 0.43
CASP4 P49662 1/20 0.43
CASP8 Q14790 1/20 0.43

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
SCHEMBL3082489 0.85 HRH3 (0.53) CASP3CASP7CASP6CASP1CASP2
SCHEMBL3082484 0.85 HRH3 (0.53) CASP3CASP7CASP6CASP1CASP2
SCHEMBL3088011 0.85 CCR6 (0.44)
SCHEMBL3087444 0.78 HTR2C (0.49)
SCHEMBL3095130 0.77 HTR2C (0.44)
SCHEMBL3089510 0.77 HTR2C (0.44)
SCHEMBL3098179 0.76 MAOB (0.50)
SCHEMBL4544201 0.71 DPP4 (0.39)
SCHEMBL3095006 0.71 DPP4 (0.39)
SCHEMBL14563158 0.71 CHRNB2 (0.47)

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 CASP3 1047/4885CASP7 965/4885CASP6 3000/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B CASP3 730/4885CASP7 1164/4885CASP6 1384/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B CASP3 730/4885CASP7 1164/4885CASP6 1384/4885

“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.