SCHEMBL3898660

SCHEMBL3898660

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SYK P43405 1/20 0.47
PDE4B Q07343 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR2 P41597 1/20 0.46
GAA P10253 1/20 0.46
CPB1 P15086 2/20 0.45
CASP3 P42574 2/20 0.45
PREP P48147 2/20 0.44
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL3898666 1.00 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL3888150 0.96 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL3888143 0.96 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL4033681 0.90 CPB1 (0.54) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL18800975 0.90 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1GAACPB1
SCHEMBL3563686 0.87 KMT2A (0.56) ALDH1A1KMT2ASYKPDE4BL3MBTL1
SCHEMBL4358020 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL15584100 0.84 KMT2A (0.51) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL6614417 0.83 KMT2A (0.52) ALDH1A1KMT2AMEN1SYKPDE4B
SCHEMBL30732600 0.83 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1GAACPB1

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
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT 2006-06-22 US disclosed
US-7045521-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-16 US disclosed
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT (US) 2004-06-10 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 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-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1095/4885KMT2A 4466/4885MEN1 2716/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1095/4885KMT2A 4466/4885MEN1 2716/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1345/4885KMT2A 4534/4885MEN1 3068/4885

“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.