SCHEMBL3089672

SCHEMBL3089672

CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3c(c2)CCN(C2=CC=C2)CC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3097928 0.80 PDE4A (0.50) LMNANPC1RAB9APDE4APDE4B
SCHEMBL3089668 0.78 HRH3 (0.62) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL3087258 0.77 HRH3 (0.56)
SCHEMBL3076168 0.76 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL1474346 0.74 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL1640525 0.71 HRH3 (0.37)
SCHEMBL3082753 0.70 HRH3 (0.40) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL3082442 0.70 TSHR (0.44) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL1639040 0.69 HRH3 (0.36)
SCHEMBL3094879 0.69 HRH3 (0.58) NPC1RAB9AMEN1KMT2AMAPT

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 SMN1; SMN2 448/4885LMNA 933/4885HTT 492/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B SMN1; SMN2 461/4885LMNA 1097/4885HTT 279/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B SMN1; SMN2 461/4885LMNA 1097/4885HTT 279/4885

“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.