SCHEMBL5456739

SCHEMBL5456739

N#Cc1ccc(OC[C@H]2CN(c3ccc4c(c3)CCN(C3CCC3)CC4)C(=O)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.51
HRH3 Q9Y5N1 10/20 0.48
CYP2D6 P10635 2/20 0.48
HRH1 P35367 1/20 0.44

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
SCHEMBL14440468 0.91 GRM2 (0.47) GRM2HRH3CYP2D6HRH1
SCHEMBL5455754 0.80 HRH3 (0.45) HRH3CYP2D6HRH1
SCHEMBL5452213 0.80 MAOA (0.50) HRH3CYP2D6HRH1
SCHEMBL5463907 0.76 MEN1 (0.47) HRH3CYP2D6HRH1
SCHEMBL8118809 0.75 GRM2 (0.59) GRM2
SCHEMBL16447485 0.75 GRM2 (0.62) GRM2
SCHEMBL3098173 0.73 HRH3 (0.73) HRH3CYP2D6HRH1
SCHEMBL7390847 0.73 GRM2 (0.66) GRM2
SCHEMBL1787868 0.71 HRH3 (0.52) HRH3CYP2D6
SCHEMBL2826289 0.71 GRM2 (0.70) GRM2

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 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
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 GRM2 66/4885HRH3 38/4885CYP2D6 425/4885

“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.