SCHEMBL75748

SCHEMBL75748

CCCCc1ccccc1O[C@H](C)CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
MCHR1 Q99705 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL75741 1.00 HTR1A (0.43) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL12195800 1.00 HTR1A (0.43) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL12090288 0.87 THRA (0.43) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL73798 0.87 THRA (0.43) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL15183853 0.87 HTR1A (0.41) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL74307 0.87 THRA (0.43) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL27678662 0.86 HTR1A (0.44) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL28121080 0.83 TAAR1 (0.58) HTR1AADRA2AADRA2BADRA2CMCHR1
SCHEMBL10481827 0.83 THRA (0.46) HTR1AADRA2AADRA2BADRA2CTHRA
SCHEMBL20739982 0.83 MCHR1 (0.41) HTR1AADRA2AADRA2BADRA2CTHRA

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 28 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-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 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-8440851-B2 Spatially-defined macrocyclic compounds useful for drug discovery TRANZYME PHARMA, INC. (CA) 2013-05-14 US disclosed
US-8349887-B2 Methods of treating cachexia with macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-01-08 US disclosed
US-20110237785-A1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY MALLINCKRODT CARRIBEAN, INC. 2011-09-29 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-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-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 (10 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 HTR1A 91/4885ADRA2A 345/4885ADRA2B 571/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 HTR1A 124/4885ADRA2A 631/4885ADRA2B 639/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR HTR1A 91/4885ADRA2A 345/4885ADRA2B 571/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR HTR1A 91/4885ADRA2A 345/4885ADRA2B 571/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR HTR1A 87/4885ADRA2A 317/4885ADRA2B 564/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR HTR1A 91/4885ADRA2A 345/4885ADRA2B 571/4885
US-20110237785-A1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY MLNR, GIPR, CCKAR HTR1A 349/4885ADRA2A 1822/4885ADRA2B 1370/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 HTR1A 128/4885ADRA2A 556/4885ADRA2B 581/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR HTR1A 91/4885ADRA2A 345/4885ADRA2B 571/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR HTR1A 87/4885ADRA2A 317/4885ADRA2B 564/4885

“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.