SCHEMBL4045270

SCHEMBL4045270

CC(C)CC(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSK P43235 2/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADAMTS5 Q9UNA0 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL4040388 0.91 CTSK (0.35) CTSKALDH1A1
SCHEMBL4038283 0.91 ALDH1A1 (0.38) CYP2C9CYP2C19CTSKKMT2AMEN1
SCHEMBL4045109 0.90 LMNA (0.40) KDM4ECTSKMAPTKMT2AMEN1
SCHEMBL4041227 0.89 CHRM1 (0.42) CYP2C9CYP2C19KDM4EMAPTKMT2A
SCHEMBL4041928 0.89 CTSK (0.35) CTSKALDH1A1GAA
SCHEMBL4039254 0.87 KDM4E (0.38) CYP2C9CYP2C19KDM4EKMT2ALMNA
SCHEMBL4043087 0.87 KDM4E (0.39) CYP2C9CYP2C19KDM4ECTSKMAPT
SCHEMBL4042443 0.86 CTSK (0.34) CTSKGAA
SCHEMBL4043184 0.85 CTSK (0.33) CTSKGAA
SCHEMBL4043889 0.83 KDM4E (0.41) CYP2C9CYP2C19KDM4ECTSKMAPT

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
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-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

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 CYP2C9 80/4885CYP2C19 430/4885KDM4E 3911/4885

“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.