SCHEMBL14092157

SCHEMBL14092157

CC(C)(C)OC(=O)NCCCc1cccc2c1OC(CO)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.42
NAMPT P43490 1/20 0.41
MIF P14174 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MTNR1A P48039 3/20 0.40
DRD2 P14416 6/20 0.40
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.37
MTNR1B P49286 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14092137 0.91 NQO2 (0.40) NQO2NAMPTMIFTDP1MTNR1A
SCHEMBL14047088 0.91 NQO2 (0.40) NQO2NAMPTMIFTDP1MTNR1A
SCHEMBL15291972 0.85 MTNR1A (0.55) NAMPTMTNR1AMTNR1B
SCHEMBL18505009 0.77 NQO2 (0.43) NQO2MIFTDP1MTNR1ADRD2
SCHEMBL12634455 0.76 PRKCG (0.43) DRD2
SCHEMBL12634919 0.76 NAMPT (0.36) NQO2NAMPTMIFTDP1DRD2
SCHEMBL14047099 0.75 ACE (0.38) NQO2NAMPTMTNR1ADRD2MTNR1B
SCHEMBL27499404 0.75 KCNA5 (0.42) NQO2NAMPTMIFMTNR1ADRD2
SCHEMBL14047098 0.75 EPHX1 (0.35) NQO2NAMPTMIFTDP1MTNR1A
SCHEMBL12634899 0.74 TDP1 (0.60) NQO2NAMPTTDP1DRD2SIGMAR1

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 8 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-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
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US 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 NQO2 4220/4885NAMPT 4088/4885MIF 2931/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR NQO2 4174/4885NAMPT 4181/4885MIF 2603/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR NQO2 4220/4885NAMPT 4088/4885MIF 2931/4885

“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.