SCHEMBL73946

SCHEMBL73946

CCCCc1cc(C(=N)N)ccc1OCCC

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.55
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
ST14 Q9Y5Y6 1/20 0.52

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
SCHEMBL13552193 0.92 PRSS1 (0.52) PRSS1F2PLAUST14
SCHEMBL12134030 0.81 LTB4R (0.62)
SCHEMBL13552209 0.81 PRSS1 (0.55) PRSS1F2PLAUST14
SCHEMBL13552192 0.81 PRSS1 (0.52) PRSS1F2PLAUST14
SCHEMBL2562274 0.79 PRSS1 (0.57) PRSS1F2PLAUST14
SCHEMBL21823569 0.79 PRSS1 (0.74) PRSS1F2PLAUST14
SCHEMBL13476052 0.79 PRSS1 (0.52) PRSS1F2PLAUST14
SCHEMBL74408 0.79 LTB4R (0.43) PRSS1
SCHEMBL5306761 0.78 PRSS1 (0.82) PRSS1F2PLAUST14
SCHEMBL7926667 0.78 PRSS1 (0.75) PRSS1F2PLAUST14

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 27 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-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-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-RE42624-E1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2011-08-16 US disclosed
US-RE42013-E1 Macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2010-12-28 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-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-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 (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 PRSS1 1081/4885F2 903/4885PLAU 1204/4885
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR PRSS1 896/4885F2 4416/4885PLAU 3460/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PRSS1 808/4885F2 776/4885PLAU 1032/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR PRSS1 896/4885F2 4416/4885PLAU 3460/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR PRSS1 896/4885F2 4416/4885PLAU 3460/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR PRSS1 821/4885F2 4287/4885PLAU 3055/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 PRSS1 808/4885F2 776/4885PLAU 1032/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 PRSS1 1081/4885F2 903/4885PLAU 1204/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR PRSS1 896/4885F2 4416/4885PLAU 3460/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 PRSS1 1079/4885F2 878/4885PLAU 1223/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR PRSS1 896/4885F2 4416/4885PLAU 3460/4885

“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.