SCHEMBL5529707

SCHEMBL5529707

N#CCNC(=O)C(CNC(=O)c1cnc2ccccc2c1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.51
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CCR1 P32246 4/20 0.47
HPGDS O60760 2/20 0.46
TRPV1 Q8NER1 4/20 0.45
METTL3 Q86U44 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ACKR3 P25106 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL5525451 0.85 CTSL (0.49) PREPPDE3BPDE3ACTSLCTSB
SCHEMBL5525342 0.84 CTSL (0.60) CTSLCTSBCTSSCTSKDPP7
SCHEMBL5529703 0.80 CTSL (0.71) PREPPDE3BPDE3ACCR1METTL3
SCHEMBL7562354 0.80 CTSL (0.48) CTSLCTSBCTSSCTSK
SCHEMBL5520691 0.79 CTSL (0.50) CTSLCTSBCTSSCTSK
SCHEMBL5534377 0.79 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL5534147 0.79 CTSL (0.48) CTSLCTSBCTSSCTSK
SCHEMBL5528494 0.79 CTSL (0.53) PREPCTSLCTSBCTSSCTSK
SCHEMBL5528969 0.79 PKM (0.56) PREPCTSLCTSBCTSSCTSK
SCHEMBL5528527 0.78 CTSL (0.48) 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 PREP 24/4885PDE3B 1062/4885PDE3A 1134/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PREP 24/4885PDE3B 1062/4885PDE3A 1134/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 PREP 24/4885PDE3B 1062/4885PDE3A 1134/4885

“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.