SCHEMBL4048563

SCHEMBL4048563

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)CCCCC1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.40
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
GPR132 Q9UNW8 1/20 0.37
DRD4 P21917 7/20 0.36
DRD2 P14416 5/20 0.36
HTR2A P28223 4/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
CHRM4 P08173 1/20 0.36
KCNH2 Q12809 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
SCHEMBL4040909 0.87 GPR132 (0.36) HDAC1DPP4PREPGPR132DRD4
SCHEMBL4039419 0.87 HDAC1 (0.39) HDAC1DPP4PREPDRD4DRD2
SCHEMBL4037636 0.86 CTSK (0.42) DPP4PREPGPR132
SCHEMBL4037440 0.85 GPR132 (0.43) GPR132CHRNA7CHRNB2CHRNA4CHRM4
SCHEMBL4039472 0.84 HDAC1 (0.35) HDAC1DPP4PREPHDAC3HDAC2
SCHEMBL4039814 0.83 HDAC1 (0.36) HDAC1DPP4PREPGPR132DRD4
SCHEMBL6209860 0.82 HDAC1 (0.44) HDAC1DPP4PREPDRD4DRD2
SCHEMBL4040806 0.81 CTSK (0.38) HDAC1DPP4PREPDRD4DRD2
SCHEMBL4040750 0.81 CTSK (0.52) HDAC1CHRNA7CHRNB2CHRNA4
SCHEMBL4041957 0.81 CTSK (0.42) HDAC1DPP4PREPDRD4DRD2

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 8 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
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 HDAC1 261/4885DPP4 3448/4885PREP 1823/4885

“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.