SCHEMBL3744158

SCHEMBL3744158

O=C(N[C@H]1CCN(C2CCC3(CC2)OCCO3)C1=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
CASP1 P29466 2/20 0.45
PREP P48147 2/20 0.44
FPR2 P25090 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSK P43235 4/20 0.43
CTSB P07858 3/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 2/20 0.42
NAAA Q02083 1/20 0.42

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
SCHEMBL12156504 0.87 CASP3 (0.44) CASP3CASP1PREPALDH1A1GAA
SCHEMBL1841848 0.87 CASP3 (0.44) CASP3CASP1PREPALDH1A1GAA
SCHEMBL2786342 0.87 CASP3 (0.44) CASP3CASP1PREPALDH1A1GAA
SCHEMBL12156505 0.85 CASP3 (0.42) CASP3CASP1PREPCTSKCTSB
SCHEMBL13600773 0.85 CASP3 (0.42) CASP3CASP1PREPCTSKCTSB
SCHEMBL2341992 0.85 CASP3 (0.41) CASP3CASP1PREPCTSKCTSB
SCHEMBL13411399 0.83 CASP3 (0.41) CASP3CASP1PREPCTSKCTSB
SCHEMBL1842398 0.83 CASP3 (0.41) CASP3CASP1PREPCTSKCTSB
SCHEMBL12156507 0.83 PREP (0.40) CASP3CASP1PREPCTSKCTSB
SCHEMBL13600774 0.83 PREP (0.40) CASP3CASP1PREPCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
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
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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 (3 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 CASP3 4375/4885CASP1 1651/4885PREP 2874/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CASP3 4375/4885CASP1 1651/4885PREP 2874/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CASP3 4375/4885CASP1 1651/4885PREP 2874/4885

“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.