SCHEMBL5529696

SCHEMBL5529696

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.54
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
TRPV1 Q8NER1 2/20 0.48
PREP P48147 1/20 0.47
HTRA1 Q92743 3/20 0.46
CCKBR P32239 2/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
METTL3 Q86U44 1/20 0.44
HPGDS O60760 1/20 0.43

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
SCHEMBL5525443 0.86 CTSL (0.55) CTSLCTSBCTSSCTSKPREP
SCHEMBL5529703 0.84 CTSL (0.71) CCR1CTSLCTSBCTSSCTSK
SCHEMBL5525335 0.83 CTSL (0.69) CTSLCTSBCTSSCTSK
SCHEMBL5530441 0.83 CTSL (0.69) CTSLCTSBCTSSCTSK
SCHEMBL7562349 0.81 CTSL (0.54) CTSLCTSBCTSSCTSK
SCHEMBL5525507 0.80 CTSS (0.53) CTSLCTSBCTSSCTSKPREP
SCHEMBL5528488 0.80 CTSL (0.62) CTSLCTSBCTSSCTSKPREP
SCHEMBL5534137 0.80 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL5520686 0.79 CTSL (0.58) CTSLCTSBCTSSCTSK
SCHEMBL7535546 0.79 CTSL (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CCR1 1663/4885CTSL 14/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CCR1 1663/4885CTSL 14/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CCR1 1663/4885CTSL 14/4885CTSB 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.