SCHEMBL12136017

SCHEMBL12136017

Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)c(I)c1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.79

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
SCHEMBL13063932 0.93 GHSR (0.81) GHSR
SCHEMBL13752631 0.92 GHSR (0.87) GHSR
SCHEMBL806070 0.91 GHSR (0.88) GHSR
SCHEMBL806190 0.88 GHSR (1.00) GHSR
SCHEMBL14116328 0.88 GHSR (0.85) GHSR
SCHEMBL804508 0.86 GHSR (1.00) GHSR
SCHEMBL14046849 0.86 GHSR (0.86) GHSR
SCHEMBL13788309 0.84 GHSR (0.90) GHSR
SCHEMBL13063903 0.84 GHSR (0.85) GHSR
SCHEMBL806069 0.83 GHSR (0.89) GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334256-B2 Pharmaceutical salts of macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2012-12-18 US disclosed
US-20110288163-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR MALLINCKRODT US HOLDINGS LLC 2011-11-24 US disclosed
US-RE42624-E1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2011-08-16 US disclosed
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-09-03 US disclosed
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-08-06 US disclosed
US-7476653-B2 Using growth hormone secretagague receptors; endocrime disorders; gastrointestinal disorders; cardiovascular disorders; central nervous system disorders; antiproliferative agents; antiinflammatory agents TRANZYME PHARMA, INC. (CA) 2009-01-13 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 (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-20110288163-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR GHSR 1/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR GHSR 1/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR GHSR 1/4885

“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.