SCHEMBL6184505

SCHEMBL6184505

C=C(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N(C)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.44
MAPT P10636 6/20 0.44
ATM Q13315 1/20 0.44
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
F10 P00742 1/20 0.42
USP30 Q70CQ3 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL6184504 0.83 CTSL (0.67) CTSLMAPTATMCTSKCTSB
SCHEMBL7488759 0.80 CTSK (0.49) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL6185005 0.80 F10 (0.41) CTSLMAPTATMCTSKCTSB
SCHEMBL6185000 0.80 F10 (0.41) CTSLMAPTATMCTSKCTSB
SCHEMBL6186263 0.77 CTSK (0.40) CTSLMAPTATMCTSKCTSB
SCHEMBL6186265 0.77 CTSK (0.40) CTSLMAPTATMCTSKCTSB
SCHEMBL6406102 0.77 MEN1 (0.39) CTSLMAPTATMCTSKCTSB
SCHEMBL6189089 0.76 F10 (0.40) CTSLMAPTATMCTSKCTSB
SCHEMBL7507757 0.76 CTSK (0.54) CTSLCTSKCTSBCTSSHDAC8
SCHEMBL7490182 0.74 CTSB (0.52) CTSLCTSKCTSBCTSSHDAC8

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 14/4885MAPT 2606/4885ATM 3200/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885MAPT 2606/4885ATM 3200/4885

“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.