SCHEMBL2102983

SCHEMBL2102983

c1cnnc(C2CC[N]CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
GOT1 P17174 1/20 0.32
OPRK1 P41145 1/20 0.31
PDE9A O76083 1/20 0.31
CYP11B2 P19099 1/20 0.30
HDAC4 P56524 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
SCHEMBL29765569 0.87
SCHEMBL16060787 0.87
SCHEMBL17675448 0.83 CYP11B2 (0.42) KDM5AGOT1OPRK1PDE9ACYP11B2
SCHEMBL277675 0.82 CYP11B2 (0.46) KDM5AOPRK1PDE9ACYP11B2
SCHEMBL31119419 0.82 CYP11B2 (0.46) KDM5AOPRK1PDE9ACYP11B2
SCHEMBL3393553 0.79 GOT1 (0.37) KDM5AGOT1PDE9A
SCHEMBL25415197 0.78 GOT1 (0.35) KDM5AGOT1PDE9A
SCHEMBL20955923 0.78 ESR2 (0.37) KDM5AGOT1PDE9A
SCHEMBL17336360 0.78 PDE9A (0.39) KDM5AGOT1PDE9A
SCHEMBL1836309 0.78 SLC18A3 (0.44) KDM5A

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
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
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-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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 (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 KDM5A 1675/4885GOT1 2537/4885OPRK1 3213/4885

“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.