SCHEMBL4040009

SCHEMBL4040009

CC(C)CC(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR7 P34969 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL4042637 0.90 CTSK (0.43) CTSKCTSLCTSSALDH1A1KDM4E
SCHEMBL4040993 0.89 CTSK (0.43) CTSKCTSLCTSSALDH1A1SMN1; SMN2
SCHEMBL4043600 0.88 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2HTR7MEN1
SCHEMBL4043803 0.87 CTSK (0.42) CTSKCTSLCTSSKDM4EL3MBTL1
SCHEMBL4041880 0.87 CTSK (0.42) CTSKCTSLCTSSPOLBMEN1
SCHEMBL4042739 0.85 CTSL (0.41) CTSKCTSLCTSSPOLBALDH1A1
SCHEMBL4041553 0.84 CTSK (0.41) CTSKCTSLCTSSL3MBTL1
SCHEMBL4040737 0.84 ALDH1A1 (0.48) CTSKPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL4039387 0.83 ALDH1A1 (0.41) POLBALDH1A1SMN1; SMN2HTR7MEN1
SCHEMBL4042730 0.82 CTSK (0.40) CTSKCTSLCTSSL3MBTL1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2009026029-A2 METHOD FOR TREATING DAIRY PRODUCTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-26 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSL 57/4885CTSS 3/4885

“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.