SCHEMBL2054598

SCHEMBL2054598

Fc1ccc(N2CC3CC2CN3)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.66
CHRNA4 P43681 10/20 0.66
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56

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
SCHEMBL13166502 1.00 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2249143 1.00 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2244807 0.98 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
Bromide SCHEMBL15775463 0.98 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26288696 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5497908 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13589901 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6216449 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
Bromide SCHEMBL5075013 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24028165 0.83 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
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
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 WO 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 (3 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 CHRNB2 108/4885CHRNA4 354/4885CHRNB4 170/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB CHRNB2 4786/4885CHRNA4 4875/4885CHRNB4 4846/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 CHRNB2 84/4885CHRNA4 153/4885CHRNB4 92/4885

“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.