SCHEMBL3087761

SCHEMBL3087761

CNC(=O)c1ccc(Oc2ccc3c(c2)CCNCC3)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
HRH3 Q9Y5N1 4/20 0.47
STK39 Q9UEW8 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN9A Q15858 2/20 0.44
SLC2A1 P11166 1/20 0.42
ESRRA P11474 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MELK Q14680 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
PTGER1 P34995 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
SCHEMBL3094838 0.87 SYK (0.50) SYKAURKBINCENPHRH3SLC6A2
SCHEMBL3086233 0.86 SYK (0.47) SYKAURKBINCENPHRH3SCN9A
SCHEMBL3087226 0.86 SYK (0.47) SYKAURKBINCENPHRH3SLC6A2
SCHEMBL3087353 0.84 SYK (0.45) SYKAURKBINCENPHRH3SLC6A2
SCHEMBL3087534 0.80 HRH3 (0.76) HRH3SLC6A4
SCHEMBL3082431 0.79 ESR2 (0.49) HRH3STK39SLC6A2SLC6A4SLC6A3
SCHEMBL3077653 0.77 HRH3 (0.67) SYKAURKBINCENPHRH3
SCHEMBL19075709 0.73 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2ESRRA
SCHEMBL1014888 0.72 MELK (0.56) SLC2A1MELK
SCHEMBL31174274 0.72 F2 (0.53) SYKAURKBINCENPSLC2A1HPGD

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 10 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 disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US 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 (4 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 SYK 3999/4885AURKB 2187/4885INCENP 3956/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B SYK 4532/4885AURKB 1412/4885INCENP 3805/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B SYK 4532/4885AURKB 1412/4885INCENP 3805/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B SYK 4520/4885AURKB 1497/4885INCENP 3525/4885

“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.