SCHEMBL3599733

SCHEMBL3599733

CN1CCC(CCOc2cc(NCC3CCC4(CCC4)CC3)nc(C#N)n2)CC1

nearest known ligand 0.93

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.93
CTSS P25774 13/20 0.93
CTSK P43235 2/20 0.93
KCNH2 Q12809 7/20 0.60
NSD2 O96028 2/20 0.44
EHMT2 Q96KQ7 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
CHEK1 O14757 1/20 0.40

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
SCHEMBL5572278 0.88 CTSL (0.72) CTSLCTSSCTSKKCNH2
SCHEMBL3604323 0.75 CTSL (1.00) CTSLCTSSCTSKKCNH2
SCHEMBL3593711 0.68 CTSL (1.00) CTSLCTSSCTSKKCNH2
SCHEMBL5567274 0.67 CTSL (0.85) CTSLCTSSCTSKKCNH2
SCHEMBL3603514 0.66 CTSL (0.68) CTSLCTSSCTSKKCNH2
SCHEMBL24493087 0.64 EGLN2 (0.56) CTSLCTSSCTSKNSD2EGLN2
SCHEMBL30578278 0.64 EGLN2 (0.56) CTSLCTSSCTSKNSD2EGLN2
SCHEMBL447842 0.64 CTSS (0.48) CTSLCTSSCTSKEGLN2
SCHEMBL30578189 0.63 EGLN2 (0.58) CTSLCTSSCTSKEGLN2CHEK1
SCHEMBL24493091 0.63 EGLN2 (0.58) CTSLCTSSCTSKEGLN2CHEK1

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 4 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
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF CTSL 9/4885CTSS 1/4885CTSK 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.