SCHEMBL6183878

SCHEMBL6183878

CC(C)CC(NC(=O)c1ccc(OCCN2CCCC2)cc1)C(=O)NCC#N

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.61
CTSS P25774 3/20 0.61
CTSB P07858 2/20 0.61
CTSK P43235 2/20 0.61
KDM4E B2RXH2 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
LTA4H P09960 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL6185402 0.86 CTSL (0.58) CTSLCTSSCTSBCTSK
SCHEMBL2917594 0.84 CTSL (0.61) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL2913035 0.82 CTSL (0.60) CTSLCTSSCTSBCTSK
SCHEMBL6183291 0.81 CTSL (0.75) CTSLCTSSCTSBCTSK
SCHEMBL6185591 0.79 CTSL (0.59) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL7044882 0.78 CTSL (0.64) CTSLCTSSCTSBCTSK
SCHEMBL6183960 0.78 CTSL (0.60) CTSLCTSSCTSBCTSK
SCHEMBL6181732 0.78 CTSL (0.67) CTSLCTSSCTSBCTSK
SCHEMBL6182071 0.78 CTSL (0.55) CTSLCTSSCTSBCTSKHRH3
SCHEMBL6183102 0.78 CTSL (0.66) CTSLCTSSCTSBCTSK

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

“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.