SCHEMBL5525439

SCHEMBL5525439

N#CCNC(=O)C(CNC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
FAAH O00519 3/20 0.46
CHRM4 P08173 5/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL5530343 0.84 POLB (0.50) ALDH1A1GAAKDM4ECYP2C19SMN1; SMN2
SCHEMBL6874663 0.83 CTSK (0.41) ALDH1A1KDM4E
SCHEMBL5523062 0.83 CTSS (0.49) ALDH1A1KDM4E
SCHEMBL5525435 0.80 CTSS (0.62) USP30DPP7ALDH1A1CYP2C19CYP3A4
SCHEMBL5523068 0.79 CTSK (0.40)
SCHEMBL5523888 0.79 CTSS (0.52) ALDH1A1SMN1; SMN2
SCHEMBL5517701 0.79 CTSS (0.40) DPP7ALDH1A1PRMT5WDR77KDM4E
SCHEMBL5526366 0.79 L3MBTL1 (0.46) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL5529717 0.77 CTSS (0.46) ALDH1A1KDM4EMAPT
SCHEMBL5525342 0.77 CTSL (0.60) DPP7ALDH1A1GAACYP2D6SMN1; 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 7 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
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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 USP30 286/4885DPP7 94/4885ALDH1A1 4049/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 USP30 286/4885DPP7 94/4885ALDH1A1 4049/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 USP30 286/4885DPP7 94/4885ALDH1A1 4049/4885

“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.