SCHEMBL5493423

SCHEMBL5493423

Clc1ccc(N2CC3CC2CN3Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.55
DRD4 P21917 3/20 0.55
DRD2 P14416 2/20 0.55
SIGMAR1 Q99720 6/20 0.42
AKR1C3 P42330 1/20 0.42
HDAC1 Q13547 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
SCHEMBL6620817 0.88 SIGMAR1 (0.48) SIGMAR1
SCHEMBL5493145 0.87 HDAC1 (0.46) DRD3DRD4DRD2SIGMAR1HDAC1
SCHEMBL5498350 0.87 DRD4 (0.46) DRD3DRD4DRD2SIGMAR1HDAC1
SCHEMBL10511598 0.84 DRD3 (0.46) DRD3DRD4DRD2SIGMAR1HDAC1
SCHEMBL5495641 0.81 MCHR1 (0.46)
SCHEMBL5495222 0.79 SIGMAR1 (0.42) DRD3DRD4DRD2SIGMAR1HDAC1
SCHEMBL3043200 0.78 CHRNB2 (0.52) DRD3DRD4DRD2HDAC1
SCHEMBL24680998 0.78 DRD3 (0.58) DRD3DRD4DRD2AKR1C3HDAC1
SCHEMBL29914505 0.78 DRD3 (0.58) DRD3DRD4DRD2AKR1C3HDAC1
SCHEMBL24680997 0.78 DRD3 (0.58) DRD3DRD4DRD2AKR1C3HDAC1

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 DRD3 232/4885DRD4 945/4885DRD2 668/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 DRD3 241/4885DRD4 670/4885DRD2 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.