SCHEMBL4040724

SCHEMBL4040724

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(F)cc2)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.62
CTSS P25774 3/20 0.47
MC4R P32245 4/20 0.42
MC3R P41968 4/20 0.42
MC1R Q01726 4/20 0.42
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CTSL P07711 2/20 0.40
AGTR1 P30556 1/20 0.38
USP30 Q70CQ3 1/20 0.37
PSMB5 P28074 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4038798 0.93 CTSK (0.63) CTSKCTSSMC4RMC3RMC1R
SCHEMBL6213735 0.92 CTSK (0.53) CTSKCTSSMC4RMC3RMC1R
SCHEMBL4041977 0.91 CTSK (0.61) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4216273 0.89 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4038823 0.89 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4216270 0.89 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL5941513 0.89 CTSK (0.79) CTSKCTSSPLA2G1BATG4BCTSL
SCHEMBL4045091 0.88 CTSK (0.61) CTSKCTSSMC4RMC3RMC1R
SCHEMBL4038989 0.88 CTSK (0.51) CTSKCTSSMC4RMC3RMC1R
SCHEMBL5941548 0.88 CTSK (0.66) CTSKCTSSMC4RMC3RMC1R

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 9 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
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (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 2/4885CTSS 3/4885MC4R 3708/4885

“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.