SCHEMBL5458702

SCHEMBL5458702

N#Cc1ccc(-c2ccc3c(c2)CCNCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.59
DRD3 P35462 3/20 0.59
PNMT P11086 1/20 0.59
MLNR O43193 1/20 0.51
HTR2C P28335 6/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
SYK P43405 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
ASIC3 Q9UHC3 4/20 0.46
HSD17B3 P37058 1/20 0.44
MMP3 P08254 1/20 0.42
HTR6 P50406 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
S1PR1 P21453 1/20 0.41
KIF11 P52732 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL4033305 0.85 PNMT (0.79) DRD2DRD3PNMTMLNRHTR2C
Hydrochloric Acid SCHEMBL21753256 0.83 PNMT (0.76) DRD2DRD3PNMTMLNRHTR2C
SCHEMBL20374032 0.80 PNMT (0.56) DRD2DRD3PNMTASIC3HSD17B3
SCHEMBL6325110 0.80 HTR2C (0.61) DRD2DRD3PNMTMLNRHTR2C
SCHEMBL5168359 0.78 DRD2 (0.54) DRD2DRD3PNMTMLNRHTR2C
SCHEMBL5449872 0.76 CHRNB2 (0.53) DRD2DRD3MLNRHTR2CHTR2A
SCHEMBL4972557 0.75 CYP1A2 (0.52) DRD2DRD3HTR2CHTR2AHSD17B3
SCHEMBL351435 0.74 PNMT (1.00) DRD2DRD3PNMT
SCHEMBL29580085 0.74 DRD2 (1.00) DRD2DRD3PNMTASIC3
SCHEMBL1638541 0.74 DRD2 (1.00) DRD2DRD3PNMTASIC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO 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 (1 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B DRD2 67/4885DRD3 104/4885PNMT 1171/4885

“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.