SCHEMBL5459050

SCHEMBL5459050

CC(=O)Cc1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.47
CYP2D6 P10635 5/20 0.46
KDM2B Q8NHM5 2/20 0.44
MLNR O43193 1/20 0.42
HRH1 P35367 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
SCHEMBL12608382 0.90 HRH3 (0.51) HRH3CYP2D6KDM2BMLNRHRH1
SCHEMBL5458308 0.87 HRH3 (0.52) HRH3CYP2D6KDM2BMLNRHRH1
Potassium Ion SCHEMBL1787639 0.80 HRH3 (0.49) HRH3CYP2D6KDM2BMLNR
SCHEMBL5457102 0.78 HRH3 (0.73) HRH3CYP2D6KDM2BHRH1
SCHEMBL1790555 0.77 HRH3 (0.49) HRH3CYP2D6KDM2B
SCHEMBL1789591 0.77 HRH3 (0.56) HRH3CYP2D6KDM2BMLNRHRH1
SCHEMBL7949359 0.77 HRH3 (0.50) HRH3CYP2D6KDM2BMLNRHRH1
SCHEMBL1787581 0.76 HRH3 (0.48) HRH3CYP2D6KDM2BMLNRHRH1
SCHEMBL14721400 0.75 SRD5A2 (0.48) HRH3KDM2B
SCHEMBL5459934 0.75 HRH3 (0.53) HRH3CYP2D6KDM2B

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 38/4885CYP2D6 425/4885KDM2B 409/4885

“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.