SCHEMBL6183362

SCHEMBL6183362

CN(C#N)C(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.64
CTSB P07858 11/20 0.64
CTSS P25774 11/20 0.64
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
CTSK P43235 4/20 0.47
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6182603 0.88 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL6182748 0.88 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL2918749 0.84 CTSL (0.54) CTSLCTSBCTSSCTSK
SCHEMBL5111869 0.81 CTSL (0.61) CTSLCTSBCTSSMAPTGFER
SCHEMBL6185943 0.81 CTSB (0.68) CTSLCTSBCTSSMAPTCTSK
SCHEMBL6185584 0.81 CTSB (0.68) CTSLCTSBCTSSCTSK
SCHEMBL4576702 0.81 CTSB (0.68) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL6183367 0.81 CTSL (0.93) CTSLCTSBCTSSCTSK
SCHEMBL4576241 0.80 CTSB (0.65) CTSLCTSBCTSSCTSK
SCHEMBL4576471 0.80 CTSL (0.44) CTSLCTSBCTSSCTSK

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.