SCHEMBL5456547

SCHEMBL5456547

c1cc2c(cc1C1CCNCC1)CCN(C1CCCC1)CC2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.59
CYP2D6 P10635 4/20 0.55
HTR6 P50406 4/20 0.45
DRD3 P35462 3/20 0.45
QDPR P09417 1/20 0.43
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL5456534 0.97 HRH3 (0.62) HRH3CYP2D6HTR6DRD3QDPR
SCHEMBL5585026 0.81 QDPR (0.53) HRH3HTR6DRD3QDPRSLC18A3
SCHEMBL5584964 0.81 QDPR (0.53) HRH3HTR6DRD3QDPRSLC18A3
SCHEMBL5457291 0.77 HRH3 (0.55) HRH3CYP2D6HTR6DRD3
SCHEMBL3077588 0.77 HRH3 (0.95) HRH3CYP2D6
SCHEMBL5458719 0.74 HRH3 (0.59) HRH3CYP2D6HTR6DRD3
SCHEMBL3085867 0.74 HRH3 (1.00) HRH3CYP2D6
SCHEMBL3089947 0.74 HRH3 (0.95) HRH3CYP2D6
SCHEMBL12749087 0.74 HRH3 (0.70) HRH3CYP2D6
SCHEMBL5456667 0.74 MEN1 (0.46) HRH3CYP2D6HTR6DRD3

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 425/4885HTR6 373/4885

“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.