SCHEMBL5453465

SCHEMBL5453465

O=C(c1cscn1)N1CCC(c2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.47
CYP2D6 P10635 2/20 0.47
TLR9 Q9NR96 2/20 0.46
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
POLB P06746 1/20 0.46
RIPK1 Q13546 1/20 0.41
HRH1 P35367 1/20 0.40
DRD3 P35462 2/20 0.40
HTR6 P50406 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5464368 0.85 HRH3 (0.50) HRH3CYP2D6DRD3HTR6L3MBTL1
SCHEMBL5464883 0.84 HRH3 (0.51) HRH3CYP2D6POLBHRH1L3MBTL3
SCHEMBL5460076 0.82 POLB (0.57) HRH3CYP2D6POLBRIPK1HRH1
SCHEMBL5672950 0.79 L3MBTL3 (0.57) HRH3POLBDRD3HTR6L3MBTL3
SCHEMBL5458191 0.77 HRH3 (0.58) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL5465815 0.77 HPGD (0.52) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL5470100 0.77 L3MBTL1 (0.58) HRH3L3MBTL3L3MBTL1
SCHEMBL14441056 0.77 HRH3 (0.58) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL4767427 0.76 HRH3 (0.50) HRH3HRH1
SCHEMBL5459682 0.76 HRH3 (0.52) HRH3CYP2D6TLR9TLR8TLR7

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 1 patent. 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

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 425/4885TLR9 4195/4885

“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.