SCHEMBL3746880

SCHEMBL3746880

COC(=O)[C@@H]1C[C@@H](NC(C)(C)C)CC[C@@H]1N1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.48
CCR2 P41597 2/20 0.45
CCR5 P51681 2/20 0.45
PREP P48147 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CASP3 P42574 2/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 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
SCHEMBL3746876 1.00 CPB1 (0.48) CPB1CCR2CCR5PREPALDH1A1
SCHEMBL3738254 1.00 CPB1 (0.48) CPB1CCR2CCR5PREPALDH1A1
SCHEMBL3737408 1.00 CPB1 (0.48) CPB1CCR2CCR5PREPALDH1A1
SCHEMBL3737406 1.00 CPB1 (0.48) CPB1CCR2CCR5PREPALDH1A1
SCHEMBL3994530 1.00 CPB1 (0.48) CPB1CCR2CCR5PREPALDH1A1
SCHEMBL3732889 0.90 CPB1 (0.47) CPB1PREPALDH1A1GAACYP2C9
SCHEMBL3732888 0.90 CPB1 (0.47) CPB1PREPALDH1A1GAACYP2C9
SCHEMBL3744222 0.90 CPB1 (0.47) CPB1PREPALDH1A1GAACYP2C9
SCHEMBL3744220 0.90 CPB1 (0.47) CPB1PREPALDH1A1GAACYP2C9
SCHEMBL27667819 0.90 CPB1 (0.47) CPB1PREPALDH1A1GAACYP2C9

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 CPB1 865/4885CCR2 5/4885CCR5 8/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CPB1 865/4885CCR2 5/4885CCR5 8/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CPB1 865/4885CCR2 5/4885CCR5 8/4885

“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.