SCHEMBL2102558

SCHEMBL2102558

[CH2]CNC1CN(C(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
EPHX2 P34913 6/20 0.34
EPHX1 P07099 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL17572858 0.81 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2102575 0.80 EPHX2 (0.51) EPHX2EPHX1
SCHEMBL21600937 0.79 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL24802124 0.76 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20030841 0.75 GAA (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3832771 0.73
SCHEMBL15161471 0.71 CA1 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL24654636 0.71
SCHEMBL15820963 0.70 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL19229766 0.70 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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-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-1866276-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
EP-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006102423-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB CHRNB2 4786/4885CHRNA3 4829/4885CHRNA4 4875/4885

“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.