SCHEMBL3097928

SCHEMBL3097928

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HRH3 Q9Y5N1 5/20 0.44
OPRD1 P41143 5/20 0.41
OPRK1 P41145 2/20 0.41
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
OPRM1 P35372 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SLC9A3 P48764 1/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 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
SCHEMBL3082753 0.81 HRH3 (0.40) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL3089672 0.80 SMN1; SMN2 (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3097922 0.79 HRH3 (0.69) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL3087258 0.76 HRH3 (0.56) HRH3
SCHEMBL3089521 0.76 HRH3 (0.52) HRH3
SCHEMBL3082605 0.76 HRH3 (0.59) HRH3ALDH1A1NPC1RAB9A
SCHEMBL3082442 0.73 TSHR (0.44) HRH3ALDH1A1NPC1LMNAMAPT
SCHEMBL1787356 0.72 ALDH1A1 (0.57) SRD5A1SRD5A2ALDH1A1MAPT
SCHEMBL1789887 0.72 HDAC6 (0.43) OPRD1OPRK1SRD5A1SRD5A2OPRM1
SCHEMBL1707162 0.72 HRH3 (0.66) HRH3OPRD1OPRK1OPRM1

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 PDE4A 2070/4885PDE4B 2377/4885PDE4C 2724/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B PDE4A 1532/4885PDE4B 1098/4885PDE4C 2036/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B PDE4A 1532/4885PDE4B 1098/4885PDE4C 2036/4885

“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.