SCHEMBL6184471

SCHEMBL6184471

CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.41
CTSK P43235 6/20 0.41
CTSB P07858 7/20 0.37
CTSL P07711 5/20 0.37
PREP P48147 1/20 0.36
PADI1 Q9ULC6 1/20 0.36
PADI4 Q9UM07 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6184474 0.79 CTSL (0.51) CTSSCTSKCTSBCTSL
SCHEMBL13033925 0.76 PADI1 (0.54) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL7487225 0.75 CTSK (0.40) CTSSCTSKCTSBCTSLKMT2A
SCHEMBL6182884 0.72 CTSB (0.47) CTSSCTSKCTSBCTSLNPC1
SCHEMBL5529190 0.72 CTSL (0.48) CTSSCTSKCTSBCTSL
SCHEMBL5528340 0.72 CTSL (0.48) CTSSCTSKCTSBCTSL
SCHEMBL7611996 0.69 CTSK (0.51) CTSSCTSKCTSBCTSLSMN1; SMN2
SCHEMBL6257674 0.69 CTSS (0.61) CTSSCTSKCTSBCTSL
SCHEMBL4688805 0.68 CHRNB2 (0.55) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL7898101 0.67 ALDH1A1 (0.58) TSHRMEN1KMT2ANPC1SMN1; SMN2

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 CTSS 10/4885CTSK 32/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSB 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.