SCHEMBL5455631

SCHEMBL5455631

CNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.68
HRH1 P35367 1/20 0.55
BAZ2B Q9UIF8 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
KDM2B Q8NHM5 1/20 0.41
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL5450221 0.88 HRH3 (0.55) HRH3HRH1
SCHEMBL5459792 0.87 HRH3 (0.53) HRH3HRH1KDM2B
SCHEMBL5457102 0.86 HRH3 (0.73) HRH3HRH1KDM2B
SCHEMBL5452228 0.84 HRH3 (0.86) HRH3HRH1
SCHEMBL1790897 0.83 HRH3 (0.76) HRH3HRH1KDM2B
SCHEMBL5458210 0.83 HRH3 (0.63) HRH3HRH1
SCHEMBL12749370 0.82 HRH3 (0.52) HRH3
SCHEMBL4768148 0.82 HRH3 (0.66) HRH3HRH1KDM2B
SCHEMBL5660536 0.82 HRH3 (0.66) HRH3HRH1KDM2B
SCHEMBL5458241 0.81 HRH3 (0.58) HRH3

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 6 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 claimed
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 HRH3 38/4885HRH1 101/4885BAZ2B 346/4885

“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.