SCHEMBL14092137

SCHEMBL14092137

CC(C)(C)OC(=O)NCCCc1cccc2c1OC(CO)CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.40
NAMPT P43490 1/20 0.40
DRD2 P14416 5/20 0.39
ACE P12821 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MTNR1A P48039 4/20 0.38
MIF P14174 1/20 0.38
METAP2 P50579 1/20 0.37
MTNR1B P49286 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL14047088 1.00 NQO2 (0.40) NQO2NAMPTDRD2ACETDP1
SCHEMBL14092157 0.91 NQO2 (0.42) NQO2NAMPTDRD2TDP1MTNR1A
SCHEMBL14092255 0.82 CYP3A4 (0.39) TDP1MIFCYP3A4
SCHEMBL14092135 0.82 HTT (0.46) ACEMTNR1AMTNR1B
SCHEMBL14047099 0.82 ACE (0.38) NQO2NAMPTDRD2ACEMTNR1A
SCHEMBL14047098 0.81 EPHX1 (0.35) NQO2NAMPTDRD2ACETDP1
SCHEMBL4445600 0.80 MTNR1B (0.40) NAMPTMTNR1AMTNR1B
SCHEMBL13272194 0.77 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL12377772 0.77 L3MBTL1 (0.39) TDP1
SCHEMBL18505012 0.77 L3MBTL1 (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR NQO2 4220/4885NAMPT 4088/4885DRD2 1706/4885

“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.