SCHEMBL2103674

SCHEMBL2103674

c1cnc(C2CC[N]CC2)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
GRM2 Q14416 2/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
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
SCHEMBL935722 0.84
Hydrochloric Acid SCHEMBL29162507 0.81 OPRL1 (0.36) OPRM1OPRL1GRM2KDM4EGAA
SCHEMBL1444138 0.79 KDM4E (0.38) OPRM1OPRL1GRM2KDM4EGAA
SCHEMBL676894 0.79 KDM4E (0.43) OPRM1OPRL1KDM4EGAA
SCHEMBL2100869 0.78 HSP90AA1 (0.31)
SCHEMBL61212 0.77 KDM4E (0.46) OPRM1OPRL1KDM4EGAA
SCHEMBL16916365 0.77 KDM4E (0.46) OPRM1OPRL1KDM4EGAA
Fluoromethane SCHEMBL28832696 0.77 PDE10A (0.34) OPRM1OPRL1GRM2KDM4EGAA
Ammonia Solution, Strong SCHEMBL28326987 0.77 KDM4E (0.41) OPRM1OPRL1KDM4EGAA
SCHEMBL12539825 0.73 MAPK1 (0.50) OPRL1

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
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-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
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 OPRM1 4676/4885OPRL1 2686/4885GRM2 4611/4885

“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.