SCHEMBL74797

SCHEMBL74797

CCCOc1ccccc1CC(C)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 2/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL12250771 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL73349 0.87 MAPT (0.44) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL12195815 0.87 MAPT (0.44) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL14942971 0.87 L3MBTL1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL12301713 0.87 L3MBTL1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL12195817 0.87 MAPT (0.44) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL15118676 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL23961372 0.80 IDO1 (0.48) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL8221027 0.80 IDO1 (0.48) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL28192016 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1

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 30 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-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-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 SLC6A2 1776/4885SLC6A4 994/4885SLC6A3 746/4885
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SLC6A2 3547/4885SLC6A4 2290/4885SLC6A3 1953/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 SLC6A2 2127/4885SLC6A4 1078/4885SLC6A3 933/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SLC6A2 3547/4885SLC6A4 2290/4885SLC6A3 1953/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SLC6A2 3547/4885SLC6A4 2290/4885SLC6A3 1953/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR SLC6A2 3588/4885SLC6A4 2336/4885SLC6A3 2277/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 SLC6A2 1776/4885SLC6A4 994/4885SLC6A3 746/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR SLC6A2 3547/4885SLC6A4 2290/4885SLC6A3 1953/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 SLC6A2 1765/4885SLC6A4 975/4885SLC6A3 730/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SLC6A2 3547/4885SLC6A4 2290/4885SLC6A3 1953/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR SLC6A2 3588/4885SLC6A4 2336/4885SLC6A3 2277/4885

“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.