SCHEMBL5493145

SCHEMBL5493145

Nc1ccc(N2CC3CC2CN3Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
SIGMAR1 Q99720 5/20 0.41
MAPT P10636 1/20 0.38

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
SCHEMBL5493423 0.87 DRD3 (0.55) HDAC1DRD3DRD2DRD4SIGMAR1
SCHEMBL5498350 0.86 DRD4 (0.46) HDAC1DRD3DRD2DRD4SIGMAR1
SCHEMBL10511598 0.83 DRD3 (0.46) HDAC1DRD3DRD2DRD4SIGMAR1
SCHEMBL2956095 0.82 HDAC1 (0.46) HDAC1DRD3DRD2DRD4SIGMAR1
SCHEMBL5495641 0.80 MCHR1 (0.46) MAPT
SCHEMBL4506882 0.80 HDAC1 (0.51) HDAC1SIGMAR1MAPT
SCHEMBL7078018 0.79 HDAC1 (0.44) HDAC1SIGMAR1MAPT
SCHEMBL3043200 0.77 CHRNB2 (0.52) HDAC1DRD3DRD2DRD4
SCHEMBL2718724 0.77 DRD3 (0.44) HDAC1DRD3DRD2DRD4MAPT
SCHEMBL25896262 0.77 DRD3 (0.44) HDAC1DRD3DRD2DRD4MAPT

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
EP-1757608-A1 New benzazepine derivatives, medicaments containing the same and their use in the preparation of medicaments Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2007-02-28 EP disclosed
US-7101890-B2 Benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2006-09-05 US disclosed
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2004-04-08 US disclosed
US-6638925-B2 In particular benzofuro(3a,3,2,ef)(2)benzazepin; treatment of Alzheimer's disease and related dementia conditions, Langdon-Down syndrome SANOCHEMIA LTD. (MT) 2003-10-28 US disclosed
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 2003-05-15 US 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 (2 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-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS PSEN2, BACE2, BACE1 HDAC1 260/4885DRD3 232/4885DRD2 668/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 HDAC1 304/4885DRD3 241/4885DRD2 610/4885

“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.