SCHEMBL6185946

SCHEMBL6185946

N#CCNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 17/20 1.00
CTSL P07711 17/20 1.00
CTSS P25774 16/20 1.00
CTSK P43235 6/20 1.00
CTSD P07339 1/20 0.75

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
SCHEMBL6180698 0.95 CTSL (0.90) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576707 0.89 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576245 0.88 CTSL (0.94) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577128 0.88 CTSL (0.85) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576522 0.87 CTSL (0.80) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6183857 0.86 CTSB (0.83) CTSBCTSLCTSSCTSKCTSD
Balicatib SCHEMBL1587772 0.86 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576796 0.84 CTSB (0.82) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6184450 0.84 CTSL (0.72) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577320 0.83 CTSB (0.75) CTSBCTSLCTSSCTSKCTSD

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 5 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-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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSB 11/4885CTSL 14/4885CTSS 10/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSB 11/4885CTSL 14/4885CTSS 10/4885

“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.