SCHEMBL4445600

SCHEMBL4445600

COc1cc(COC(=O)NCCCc2cccc3c2OC(CO)CC3)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.40
MTNR1A P48039 9/20 0.37
NAMPT P43490 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL14092135 0.87 HTT (0.46) MTNR1BMTNR1AKMT2ACA1CA2
SCHEMBL14092137 0.80 NQO2 (0.40) MTNR1BMTNR1ANAMPT
SCHEMBL74057 0.71 L3MBTL1 (0.39)
SCHEMBL18505012 0.71 L3MBTL1 (0.39)
SCHEMBL12377772 0.71 L3MBTL1 (0.39)
SCHEMBL14092157 0.71 NQO2 (0.42) MTNR1BMTNR1ANAMPTKMT2ACA1
SCHEMBL9882973 0.69 SSTR2 (0.35) CA2
SCHEMBL14046825 0.69 SSTR2 (0.35) CA2
SCHEMBL14047098 0.67 EPHX1 (0.35) MTNR1BMTNR1ANAMPTKMT2A
SCHEMBL27490721 0.66 EPHX1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-2118080-B1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME OCERA THERAPEUTICS INC (US) 2016-08-31 EP disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
EP-2644618-A1 tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators Tranzyme Pharma, Inc. (CA) 2013-10-02 EP disclosed
EP-2118080-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME Tranzyme Pharma, Inc. (US) 2009-11-18 EP disclosed
WO-2008130464-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2008-10-30 WO disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same GHSR, GHRHR, GIPR MTNR1B 140/4885MTNR1A 122/4885NAMPT 4088/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR MTNR1B 139/4885MTNR1A 114/4885NAMPT 4181/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR MTNR1B 140/4885MTNR1A 122/4885NAMPT 4088/4885

“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.