SCHEMBL3095130

SCHEMBL3095130

N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc4c(c3)CCN(C3=CC=C3)CC4)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.44
KCNH2 Q12809 5/20 0.44
HRH3 Q9Y5N1 2/20 0.42
CCR6 P51684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C1 Q04828 1/20 0.38
HTR2A P28223 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL3089510 1.00 HTR2C (0.44) HTR2CKCNH2HRH3CCR6CYP2D6
SCHEMBL3087444 0.94 HTR2C (0.49) HTR2CKCNH2HRH3CCR6CYP2D6
SCHEMBL3088011 0.84 CCR6 (0.44) HRH3CCR6CYP2D6TRPV4AKR1C3
SCHEMBL3089506 0.83 HRH3 (0.62) HTR2CKCNH2HRH3CCR6CYP2D6
SCHEMBL3095121 0.83 HRH3 (0.62) HTR2CKCNH2HRH3CCR6CYP2D6
SCHEMBL3089512 0.83 HRH3 (0.62) HTR2CKCNH2HRH3CCR6CYP2D6
SCHEMBL3087443 0.77 HRH3 (0.67) HTR2CHRH3CCR6CYP2D6FPR2
SCHEMBL3087907 0.77 HRH3 (0.67) HTR2CHRH3CYP2D6PDE4BPDE4D
SCHEMBL3082487 0.77 CASP3 (0.45)
SCHEMBL3086339 0.76 GPR183 (0.41) HRH3CYP2D6

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 HTR2C 12/4885KCNH2 101/4885HRH3 211/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HTR2C 49/4885KCNH2 114/4885HRH3 450/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HTR2C 49/4885KCNH2 114/4885HRH3 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.