SCHEMBL155073

SCHEMBL155073

CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.78
FAAH O00519 1/20 0.78
PTGS2 P35354 1/20 0.78
MTNR1A P48039 5/20 0.73
MTNR1B P49286 3/20 0.73
CNR1 P21554 4/20 0.70
CNR2 P34972 1/20 0.70

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
SCHEMBL155072 1.00 TRPV1 (0.78) TRPV1FAAHPTGS2MTNR1AMTNR1B
SCHEMBL1129551 0.89 MTNR1A (0.92) TRPV1MTNR1AMTNR1B
SCHEMBL8571512 0.89 MTNR1A (0.92) TRPV1MTNR1AMTNR1B
SCHEMBL7505689 0.89 MTNR1A (0.92) TRPV1MTNR1AMTNR1B
SCHEMBL31036086 0.89 MTNR1A (0.87) TRPV1FAAHMTNR1AMTNR1B
SCHEMBL157036 0.88 TRPV1 (1.00) TRPV1FAAHPTGS2MTNR1A
SCHEMBL30178232 0.88 TRPV1 (1.00) TRPV1FAAHPTGS2MTNR1A
SCHEMBL1129527 0.88 TRPV1 (1.00) TRPV1FAAHPTGS2MTNR1A
SCHEMBL3810578 0.88 TRPV1 (1.00) TRPV1FAAHPTGS2MTNR1A
SCHEMBL25080049 0.86 TRPV1 (0.79) TRPV1FAAHPTGS2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636335-B1 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE MITO TEK LLC (US) 2012-07-11 EP claimed
US-20130289123-A1 Compositions and Methods for Inhibiting an Isoform of Human Manganese Superoxide Dismutase MITOTEK, LLC (US) 2013-10-31 US disclosed
US-20130102681-A1 Compositions and Methods for Inhibiting an Isoform of Human Manganese Superoxide Dismutase MITO TEK, LLC (US) 2013-04-25 US disclosed
US-8426644-B2 Compositions and methods for inhibiting an isoform of human manganese superoxide dismutase MITOTEK, LLC (US) 2013-04-23 US disclosed
US-8324279-B2 Compositions and methods for inhibiting an isoform of human manganese superoxide dismutase MITOTEK, LLC (US) 2012-12-04 US disclosed
EP-1636335-B1 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE MITO TEK LLC (US) 2012-07-11 EP disclosed
US-20120059064-A1 Compositions and Methods For Inhibiting an Isoform of Human Manganese Superoxide Dismutase MITOTEK, LLC (US) 2012-03-08 US disclosed
US-7989499-B2 Compositions and methods for inhibiting an isoform of human manganese superoxide dismutase MITOTEK, LLC (US) 2011-08-02 US disclosed
US-20100028348-A1 Compositions and Methods for Inhibiting an Isoform of Human Manganese Superoxide Dismutase MITOTEK, LLC (US) 2010-02-04 US disclosed
EP-1636335-A4 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE ANZIANO PAUL (US) 2009-08-12 EP disclosed
US-20080287548-A1 Compositions and Methods For Inhibiting an Isoform of Human Manganese Superoxide Dismutase MITOTEK, LLC 2008-11-20 US disclosed
EP-1850667-A2 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE Anziano, Paul Q. (US) 2007-11-07 EP disclosed
WO-2006086422-A2 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE ANZIANO PAUL Q (US) 2006-08-17 WO disclosed
WO-2005001041-A2 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE ANZIANO PAUL (US) 2005-01-06 WO disclosed
US-20040242655-A1 Compositions and methods for inhibiting an isoform of human manganese superoxide dismutase MITOTEK, LLC 2004-12-02 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-20130289123-A1 Compositions and Methods for Inhibiting an Isoform of Human Manganese Superoxide Dismutase SOD1, SOD3, PRDX3 TRPV1 4807/4885FAAH 4387/4885PTGS2 2084/4885
US-20120059064-A1 Compositions and Methods For Inhibiting an Isoform of Human Manganese Superoxide Dismutase SOD1, SOD3, PRDX3 TRPV1 4807/4885FAAH 4387/4885PTGS2 2084/4885
US-20080287548-A1 Compositions and Methods For Inhibiting an Isoform of Human Manganese Superoxide Dismutase SOD1, SOD3, PRDX3 TRPV1 4807/4885FAAH 4387/4885PTGS2 2084/4885

“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.