SCHEMBL6185943

SCHEMBL6185943

CN(C#N)C(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 13/20 0.68
CTSL P07711 12/20 0.68
CTSS P25774 12/20 0.68
CTSK P43235 5/20 0.68
CTSD P07339 1/20 0.51
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
USP30 Q70CQ3 1/20 0.43
LMNA P02545 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6180697 0.95 CTSL (0.60) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576702 0.89 CTSB (0.68) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576241 0.88 CTSB (0.65) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577119 0.87 CTSB (0.60) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576517 0.87 CTSB (0.54) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576260 0.85 CTSB (0.72) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576791 0.83 CTSB (0.59) CTSBCTSLCTSSCTSKCTSD
SCHEMBL7426977 0.83 CTSB (0.74) CTSBCTSLCTSSCTSK
SCHEMBL4577313 0.83 CTSL (0.54) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6185946 0.81 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD

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