SCHEMBL1600465

SCHEMBL1600465

O=C(Nc1ccc2c(c1)CCC2)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.69
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
SCARB1 Q8WTV0 4/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.51

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
SCHEMBL4954759 0.87 MAPK14 (0.73) MAPK14CNR1CNR2SCARB1
SCHEMBL1599555 0.86 MAPK14 (0.74) MAPK14CNR1CNR2SCARB1
SCHEMBL12669843 0.85 MAPK14 (0.70) MAPK14CNR1CNR2SCARB1
SCHEMBL1601067 0.84 MAPK14 (0.79) MAPK14CNR1CNR2SCARB1
SCHEMBL12669801 0.83 MAPK14 (0.62) MAPK14CNR1CNR2SCARB1
SCHEMBL1599720 0.82 MAPK14 (0.82) MAPK14SCARB1
SCHEMBL1600805 0.82 MAPK14 (0.69) MAPK14CNR1CNR2SCARB1
SCHEMBL1599171 0.82 MAPK14 (0.84) MAPK14CNR1CNR2SCARB1
SCHEMBL1600312 0.82 MAPK14 (1.00) MAPK14SCARB1
SCHEMBL1600284 0.81 MAPK14 (0.87) MAPK14SCARB1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US claimed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPK14 371/4885CNR1 2862/4885CNR2 2697/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885CNR1 375/4885CNR2 221/4885
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds OAT, HAVCR2, OTC MAPK14 3352/4885CNR1 2859/4885CNR2 2585/4885

“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.