SCHEMBL3605083

SCHEMBL3605083

CN1CCCCC1CCOc1nc(C#N)nc(NCC2CCC3(CC2)CC3)c1C(=O)NCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.81
CTSS P25774 16/20 0.70
KCNH2 Q12809 6/20 0.59
CTSK P43235 5/20 0.51

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
SCHEMBL3593711 0.89 CTSL (1.00) CTSLCTSSKCNH2CTSK
SCHEMBL3600553 0.85 CTSL (0.81) CTSLCTSSKCNH2CTSK
SCHEMBL3604323 0.75 CTSL (1.00) CTSLCTSSKCNH2CTSK
SCHEMBL3588781 0.70 CTSL (0.65) CTSLCTSSKCNH2CTSK
SCHEMBL3594594 0.68 CTSL (0.56) CTSLCTSSKCNH2CTSK
SCHEMBL5569636 0.65 CTSS (0.85) CTSLCTSSCTSK
SCHEMBL3601032 0.64 CTSL (0.63) CTSLCTSSKCNH2CTSK
SCHEMBL5568564 0.63 CTSL (0.58) CTSLCTSSKCNH2CTSK
SCHEMBL11448915 0.60 SLC2A1 (0.58) KCNH2
SCHEMBL5572278 0.60 CTSL (0.72) CTSLCTSSKCNH2CTSK

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 2 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-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 CTSL 9/4885CTSS 1/4885KCNH2 3867/4885

“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.