SCHEMBL804849

SCHEMBL804849

C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccc(Cl)cc2OCCN[C@@H](C2CC2)C(=O)N1C

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.86
CYP3A4 P08684 1/20 0.81
CYP2D6 P10635 1/20 0.81

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
SCHEMBL806132 0.96 GHSR (0.81) GHSRCYP3A4CYP2D6
SCHEMBL804941 0.96 GHSR (0.89) GHSRCYP3A4CYP2D6
SCHEMBL13752523 0.95 GHSR (0.82) GHSRCYP3A4CYP2D6
SCHEMBL804855 0.94 GHSR (0.91) GHSRCYP3A4CYP2D6
SCHEMBL804621 0.92 GHSR (1.00) GHSR
SCHEMBL13063903 0.90 GHSR (0.85) GHSRCYP3A4CYP2D6
SCHEMBL804933 0.89 GHSR (1.00) GHSRCYP3A4CYP2D6
SCHEMBL804940 0.89 GHSR (0.86) GHSRCYP3A4CYP2D6
SCHEMBL12135934 0.88 GHSR (0.82) GHSRCYP3A4CYP2D6
SCHEMBL9882901 0.88 GHSR (0.70) GHSRCYP3A4CYP2D6

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
EP-2457893-B1 Intermediates for macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS INC (US) 2017-08-16 EP disclosed
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor MALLINCKRODT LLC 2015-05-28 US disclosed
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor MALLINCKRODT LLC 2015-05-28 US disclosed
US-8921521-B2 Macrocyclic modulators of the Ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
US-8921521-B2 Macrocyclic modulators of the Ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. (CA) 2013-08-15 US disclosed
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. 2009-07-02 US disclosed
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. 2009-07-02 US disclosed
US-7491695-B2 Therapy for endocrime disorders; gastrointestinal disorders; cardiovascular disorders; obesity; central nervous system disorders; antiproliferative agents ; using growth hormone secretagogue receptor TRANZYME PHARMA INC. (CA) 2009-02-17 US disclosed
US-7491695-B2 Therapy for endocrime disorders; gastrointestinal disorders; cardiovascular disorders; obesity; central nervous system disorders; antiproliferative agents ; using growth hormone secretagogue receptor TRANZYME PHARMA INC. (CA) 2009-02-17 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
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
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS TRANZYME PHARMA INC. 2008-02-28 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO 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 (6 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-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 2928/4885CYP2D6 2748/4885
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 1192/4885CYP2D6 719/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 2928/4885CYP2D6 2748/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR GHSR 1/4885CYP3A4 2981/4885CYP2D6 2850/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 2928/4885CYP2D6 2748/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR GHSR 1/4885CYP3A4 2981/4885CYP2D6 2850/4885

“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.