SCHEMBL6184450

SCHEMBL6184450

N#CC1(NC(=O)C2(NC(=O)c3ccc(N4CCOCC4)cc3)CCCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.72
CTSB P07858 15/20 0.72
CTSS P25774 13/20 0.72
CTSK P43235 6/20 0.72
CTSD P07339 1/20 0.54
USP30 Q70CQ3 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6185946 0.84 CTSB (1.00) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28424711 0.80 CTSL (0.74) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28421665 0.80 CTSL (0.74) CTSLCTSBCTSSCTSKCTSD
SCHEMBL6185943 0.80 CTSB (0.68) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28421501 0.79 CTSL (0.59) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28425996 0.79 CTSL (0.58) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28416332 0.79 CTSL (0.58) CTSLCTSBCTSSCTSKCTSD
SCHEMBL6180698 0.78 CTSL (0.90) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28420174 0.78 CTSL (0.57) CTSLCTSBCTSSCTSKCTSD
SCHEMBL23673493 0.77 CTSB (0.57) CTSLCTSBCTSSCTSKCTSD

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