SCHEMBL1268620

SCHEMBL1268620

CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@@]1(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL24070869 0.85 CHRM2 (0.35) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL8990005 0.84 NR1H2 (0.33) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL18321103 0.83 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL2146337 0.83 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL23942085 0.83 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL8107411 0.82 NR1H2 (0.35) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL15288943 0.81 CHRM2 (0.37) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL6365781 0.81 CYP2D6 (0.41) NR1H2NR1H3GPR119HSD11B1
SCHEMBL21351604 0.81 CYP2D6 (0.41) NR1H2NR1H3GPR119HSD11B1
SCHEMBL5203966 0.80 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039622-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-10-18 US disclosed
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-10-06 US disclosed
US-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-09-29 US disclosed
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2011-09-15 US disclosed
EP-2350060-A2 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd (KR) 2011-08-03 EP disclosed
US-7879852-B2 such as (4S)-1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-yl]carbonyl}-4-[(4,4-dimethylcyclohexyl)(2,2-dimethylpropanoyl)amino]-N,N-dimethyl-L-prolineamide, used for the treatment of obesity, diabetes, inflammation and erectile dysfunction LG LIFE SCIENCES LTD. (KR) 2011-02-01 US disclosed
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCE LTD. (KR) 2010-05-13 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 (4 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-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NR1H2 539/4885NR1H3 560/4885CHRM2 396/4885
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NR1H2 539/4885NR1H3 560/4885CHRM2 396/4885
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NR1H2 539/4885NR1H3 560/4885CHRM2 396/4885
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R NR1H2 539/4885NR1H3 560/4885CHRM2 396/4885

“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.