SCHEMBL4046945

SCHEMBL4046945

COc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.55
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
GAA P10253 1/20 0.42
PTAFR P25105 4/20 0.41
CTSS P25774 1/20 0.41
SLC18A3 Q16572 1/20 0.40
CXCR3 P49682 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4042595 0.93 CTSK (0.57) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4043949 0.92 CTSK (0.53) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4039388 0.92 CTSK (0.45) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL4042794 0.92 CTSK (0.57) CTSKCTSSALDH1A1
SCHEMBL4044197 0.92 CTSK (0.63) CTSKCHRNB2CHRNA7CHRNA4PTAFR
SCHEMBL4042601 0.91 CTSK (0.54) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4047037 0.91 CTSK (0.56) CTSKCTSSPOLBLMNAALDH1A1
SCHEMBL4041333 0.90 CTSK (0.69) CTSKGAACTSSLMNAHTT
SCHEMBL4039907 0.90 CTSK (0.59) CTSKCTSS
SCHEMBL4046389 0.90 CTSK (0.69) CTSKCHRNB2CHRNA7CHRNA4CTSS

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-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 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 2/4885CHRNB2 3423/4885CHRNA7 1466/4885

“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.