SCHEMBL6184610

SCHEMBL6184610

N#CCNC(=O)C1(C(N)=O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
CTSL P07711 16/20 0.45
CTSB P07858 14/20 0.45
CTSS P25774 12/20 0.44

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
SCHEMBL6252181 1.00 CTSK (0.46) CTSKCTSLCTSBCTSS
SCHEMBL6252796 1.00 CTSK (0.46) CTSKCTSLCTSBCTSS
SCHEMBL6137090 0.82 CTSL (0.49) CTSKCTSLCTSBCTSS
SCHEMBL4652077 0.79 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL6252182 0.79 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL10447393 0.78 MME (0.34)
SCHEMBL29050666 0.78 ALDH1A1 (0.34)
SCHEMBL7488897 0.75 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL6754233 0.74 MME (0.30)
SCHEMBL7957356 0.74 SMN1; SMN2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (4 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS CTSK 4/4885CTSL 1/4885CTSB 5/4885
US-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSB 11/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSK 4/4885CTSL 2/4885CTSB 5/4885

“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.