SCHEMBL2102905

SCHEMBL2102905

c1ccc(OC2CCC(C3CC[N]CC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
HRH1 P35367 2/20 0.43
FFAR4 Q5NUL3 5/20 0.38
GRIN1 Q05586 6/20 0.36
GRIN2B Q13224 6/20 0.36
GRIK1 P39086 1/20 0.36
GRIA2 P42262 1/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL240230 0.80 HRH1 (0.59) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL29856 0.73 HRH1 (0.71) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL2103220 0.73 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL242185 0.73 HRH1 (0.50) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL15680693 0.72 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4HRH1GRIN1
Ammonia Solution, Strong SCHEMBL8078606 0.71 HRH1 (0.68) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL3244625 0.70 NAAA (0.50) SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL25369234 0.69 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL15574817 0.69 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL15574816 0.69 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4HRH1FFAR4

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 SLC6A2 3592/4885SLC6A3 2251/4885SLC6A4 3159/4885

“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.