SCHEMBL3589178

SCHEMBL3589178

N#Cc1ncc(C(=O)NC(CN2CCOCC2)c2ccccc2)c(NCC2CCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.58
CTSL P07711 12/20 0.58
CTSK P43235 10/20 0.58
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL8266969 0.88 CTSK (0.44) CTSSCTSLCTSKROCK2ROCK1
SCHEMBL3586488 0.74 CTSS (0.68) CTSSCTSLCTSK
SCHEMBL4498841 0.68 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL4148021 0.67 GPR88 (0.53) ROCK2ROCK1
SCHEMBL22229267 0.67 GPR88 (0.53) ROCK2ROCK1
SCHEMBL13626320 0.65 GPR88 (0.54) ROCK2ROCK1
SCHEMBL13136011 0.65 GPR88 (0.54) ROCK2ROCK1
SCHEMBL8266012 0.65 MAPK1 (0.46) ROCK2ROCK1
SCHEMBL3595483 0.64 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL12666562 0.64 GPR88 (0.52) ROCK2ROCK1

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-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF CTSS 1/4885CTSL 9/4885CTSK 8/4885

“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.