SCHEMBL4214768

SCHEMBL4214768

O=C(N[C@@H](CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.67
CTSS P25774 5/20 0.67
CTSL P07711 5/20 0.67
CTSV O60911 3/20 0.67
CTSB P07858 1/20 0.48
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
HTRA1 Q92743 4/20 0.43
USP30 Q70CQ3 1/20 0.41
F2RL1 P55085 2/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRM1 Q13255 1/20 0.40

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
SCHEMBL4214766 1.00 CTSK (0.67) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5941431 1.00 CTSK (0.67) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4219845 1.00 CTSK (0.67) CTSKCTSSCTSLCTSVCTSB
SCHEMBL8349497 0.92 CTSK (0.57) CTSKCTSSCTSLCTSVCTSB
SCHEMBL8348351 0.92 CTSS (0.59) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4213137 0.90 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4213141 0.90 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5942062 0.90 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4213145 0.90 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4230211 0.90 CTSK (0.55) CTSKCTSSCTSLCTSVCTSB

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 2 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 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 2/4885CTSS 3/4885CTSL 57/4885

“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.