SCHEMBL485167

SCHEMBL485167

CCOC(=O)C(C)(CC)NC(=O)c1cc(Cl)c2ccccc2c1OC(C(C)=O)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ATM Q13315 1/20 0.32
SMYD3 Q9H7B4 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SSTR4 P31391 2/20 0.32
SSTR1 P30872 1/20 0.32
CCR8 P51685 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL485272 0.92 KDM4E (0.41) SLC6A2SLC6A4SLC6A3KDM4EDRD2
SCHEMBL485650 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL5202868 0.85 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SMYD3SSTR4
SCHEMBL485206 0.85 KDM4E (0.40) SLC6A2SLC6A4SLC6A3KDM4EDRD2
SCHEMBL485330 0.84 KDM4E (0.39) SLC6A2SLC6A4SLC6A3KDM4EDRD2
SCHEMBL485131 0.84 CHRM1 (0.36) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL485215 0.84 KDM4E (0.39) SLC6A2SLC6A4SLC6A3KDM4EDRD2
SCHEMBL485306 0.81 KDM4E (0.40) SLC6A2SLC6A4SLC6A3KDM4EDRD2
SCHEMBL485585 0.81 KDM4E (0.40) SLC6A2SLC6A4SLC6A3KDM4EDRD2
SCHEMBL485324 0.76 KDM4E (0.42) KDM4EDRD2DRD3CHRM2CHRM4

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
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 SLC6A2 1191/4885SLC6A4 966/4885SLC6A3 1129/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 SLC6A2 1191/4885SLC6A4 966/4885SLC6A3 1129/4885

“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.