SCHEMBL6181001

SCHEMBL6181001

CC(C)CC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)NC1(C#N)CCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.66
CTSK P43235 10/20 0.66
CTSS P25774 7/20 0.66
CTSB P07858 6/20 0.66
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL6183254 0.96 CTSL (0.70) CTSLCTSKCTSSCTSB
SCHEMBL6182938 0.91 CTSL (0.64) CTSLCTSKCTSSCTSB
SCHEMBL6183984 0.86 CTSL (0.66) CTSLCTSKCTSSCTSB
SCHEMBL6182423 0.82 CTSK (0.75) CTSLCTSKCTSSCTSBHDAC3
SCHEMBL23673436 0.82 CTSL (0.54) CTSLCTSKCTSSCTSB
SCHEMBL23673435 0.82 CTSL (0.54) CTSLCTSKCTSSCTSB
SCHEMBL29886902 0.82 CTSL (0.54) CTSLCTSKCTSSCTSB
SCHEMBL6184402 0.80 CTSK (0.61) CTSLCTSKCTSSCTSB
SCHEMBL20341859 0.79 CTSL (0.53) CTSLCTSKCTSSCTSB
SCHEMBL18616711 0.79 CTSL (0.53) CTSLCTSKCTSSCTSB

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 14/4885CTSK 32/4885CTSS 10/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSS 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.