SCHEMBL4700574

SCHEMBL4700574

Cc1sc(-c2ccc(N3CCN(CC#N)CC3)cc2)nc1N1CCC[C@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
SYK P43405 2/20 0.37
WNT3A P56704 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
AR P10275 1/20 0.35
PIK3CA P42336 8/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MAT2A P31153 2/20 0.33
F10 P00742 1/20 0.33
JAK2 O60674 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
SCHEMBL4701773 0.86 WNT3A (0.36) HRH3SYKWNT3AJAK2
SCHEMBL4700570 0.78 CTSK (0.43) HRH3
SCHEMBL4698846 0.77 DHFR (0.36) HRH3WNT3AHTR1AHTR7
SCHEMBL4702384 0.76 CTSK (0.43) WNT3AHTR1AHTR7FPR2SCN9A
SCHEMBL4701793 0.72 USP2 (0.37) HRH3SYKWNT3AJAK2
SCHEMBL4703005 0.71 SYK (0.36) SYKWNT3AJAK2
SCHEMBL2155315 0.71 HTR1A (0.41) SYKHTR1AHTR7
SCHEMBL2155619 0.71 HTR1A (0.41) SYKHTR1AHTR7
SCHEMBL4701857 0.68 HTR1A (0.41) HRH3SYKHTR1AHTR7AR
SCHEMBL4699837 0.68 WNT3A (0.36) SYKWNT3AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ HRH3 1600/4885SYK 3466/4885WNT3A 3276/4885

“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.