SCHEMBL5452213

SCHEMBL5452213

O=C1O[C@@H](CO)CN1c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CALML3 P27482 6/20 0.47
HRH3 Q9Y5N1 8/20 0.46
HRH1 P35367 1/20 0.45
HTR6 P50406 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2D6 P10635 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
SCHEMBL5455754 0.83 HRH3 (0.45) MAOBHRH3HRH1CYP2D6
SCHEMBL6192208 0.82 MAOA (0.57) MAOAMAOBCALML3HTR6CYP2C9
SCHEMBL14440468 0.82 GRM2 (0.47) HRH3HRH1CYP2D6
SCHEMBL2184129 0.82 MAOA (0.55) MAOAMAOBCALML3HTR6CYP2C9
SCHEMBL2184137 0.82 MAOA (0.55) MAOAMAOBCALML3HTR6CYP2C9
SCHEMBL5456739 0.80 GRM2 (0.51) HRH3HRH1CYP2D6
SCHEMBL6213449 0.78 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C9
SCHEMBL6192445 0.78 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C9
SCHEMBL6210714 0.78 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C9
SCHEMBL6210718 0.78 MAOA (0.53) MAOAMAOBCALML3HTR6CYP2C9

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 MAOA 59/4885MAOB 19/4885CALML3 707/4885

“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.