SCHEMBL4701375

SCHEMBL4701375

C[C@H]1C[C@@H](C(N)=O)N(c2nc(-c3ccc(N4CCN(CC#N)CC4)cc3)ns2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
CNR2 P34972 1/20 0.34
WNT3A P56704 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHEK1 O14757 1/20 0.33
FAAH O00519 9/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL4700970 0.84 CYP1A2 (0.43) NPC1RAB9ACTSSCTSK
SCHEMBL4703005 0.84 SYK (0.36) SYKWNT3ACHEK1CTSSCTSK
SCHEMBL4701793 0.83 USP2 (0.37) SYKWNT3ACTSSCTSK
SCHEMBL4699837 0.83 WNT3A (0.36) SYKWNT3ACTSSCTSK
SCHEMBL4704056 0.83 SYK (0.35) SYKWNT3ACHEK1CTSSCTSK
SCHEMBL4698764 0.83 WNT3A (0.36) SYKWNT3ACTSSCTSK
SCHEMBL4701773 0.80 WNT3A (0.36) SYKWNT3ANPC1CHEK1
SCHEMBL4701372 0.79 CTSL (0.43) CTSSCTSK
SCHEMBL4699327 0.79 SYK (0.35) SYKWNT3A
SCHEMBL4757196 0.79 SYK (0.35) SYKWNT3A

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-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
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ SYK 3466/4885CNR2 3113/4885WNT3A 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.