SCHEMBL73826

SCHEMBL73826

CCCCc1ccccc1OCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
PRKCD Q05655 1/20 0.49
PAK1 Q13153 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
TAOK1 Q7L7X3 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
PPARD Q03181 1/20 0.48
ATM Q13315 2/20 0.47
HPGD P15428 1/20 0.47
THRA P10827 1/20 0.45

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
SCHEMBL10150312 0.94 ALOX5 (0.51) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL919038 0.94 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL19289404 0.93 THRA (0.54) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL11717347 0.93 THRA (0.54) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL16933732 0.91 LTB4R (0.53) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL11341195 0.91 LTB4R (0.53) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL16934158 0.91 LTB4R (0.53) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL8523169 0.89 LTB4R (0.55) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL74512 0.88 PPARD (0.54) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL9642098 0.87 MAPT (0.50) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 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-8557765-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2013-10-15 US disclosed
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. (CA) 2013-08-15 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 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-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. 2009-07-02 US disclosed
US-7550431-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2009-06-23 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 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-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (11 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 CYP1A2 1336/4885CYP2C9 1913/4885CYP2C19 1515/4885
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR CYP1A2 2064/4885CYP2C9 3205/4885CYP2C19 2470/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CYP1A2 957/4885CYP2C9 1496/4885CYP2C19 1154/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR CYP1A2 2064/4885CYP2C9 3205/4885CYP2C19 2470/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR CYP1A2 2064/4885CYP2C9 3205/4885CYP2C19 2470/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR CYP1A2 2165/4885CYP2C9 3321/4885CYP2C19 2517/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 CYP1A2 1336/4885CYP2C9 1913/4885CYP2C19 1515/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR CYP1A2 2064/4885CYP2C9 3205/4885CYP2C19 2470/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 CYP1A2 1292/4885CYP2C9 1852/4885CYP2C19 1458/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR CYP1A2 2064/4885CYP2C9 3205/4885CYP2C19 2470/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR CYP1A2 2165/4885CYP2C9 3321/4885CYP2C19 2517/4885

“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.