SCHEMBL13043801

SCHEMBL13043801

CN1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
NAAA Q02083 1/20 0.50
CASP3 P42574 1/20 0.50
TSHR P16473 1/20 0.50
PREP P48147 2/20 0.49
CASP1 P29466 2/20 0.49

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
SCHEMBL14601914 1.00 CTSK (0.54) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL14337553 0.93 CASP3 (0.53) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL13043811 0.93 CASP3 (0.53) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL33525492 0.90 ALDH1A1 (0.50) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL253913 0.86 ALDH1A1 (0.53) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL4679774 0.85 TSHR (0.53) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL4683464 0.85 TSHR (0.53) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL4679772 0.85 TSHR (0.53) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL10265005 0.84 CTSK (0.49) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL6199396 0.84 NAAA (0.51) CTSKCTSLCTSBALDH1A1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 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 (2 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CTSK 1532/4885CTSL 1222/4885CTSB 1194/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CTSK 1532/4885CTSL 1222/4885CTSB 1194/4885

“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.