SCHEMBL91239

SCHEMBL91239

CC(C)(CCCOc1cc(F)ccc1Br)[Si](C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SCD O00767 5/20 0.40
SCD5 Q86SK9 1/20 0.40
PKM P14618 1/20 0.35
SLC6A4 P31645 2/20 0.34
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2B P41595 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
TTR P02766 1/20 0.32
CYP2C8 P10632 1/20 0.32

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
SCHEMBL91228 0.90 PKM (0.47) PKMNR3C1CYP1A2CYP2C9NPC1
SCHEMBL12667924 0.85 HTR2C (0.34) CYP1A2CYP2C9HTR2BHTR2CHTR2A
SCHEMBL12668175 0.84 HTR2B (0.31) CYP1A2CYP2C9HTR2BHTR2CHTR2A
SCHEMBL13894358 0.82 HTR2C (0.34) NR3C1CYP1A2CYP2C9HTR2BHTR2C
SCHEMBL17129512 0.78 NOTUM (0.42) MAPTRAB9AL3MBTL1TTRTSHR
SCHEMBL91154 0.77 SMN1; SMN2 (0.48) CYP1A2CYP2C9NPC1MAPTHPGD
SCHEMBL12134818 0.76 FFAR1 (0.39) FFAR1FFAR4SCDSCD5PKM
SCHEMBL8297680 0.76 CYP1A2 (0.44) FFAR1FFAR4SCDSCD5PKM
SCHEMBL3095403 0.76 FFAR1 (0.48) FFAR1FFAR4SCDSCD5PKM
SCHEMBL12668116 0.75 ALOX5AP (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457893-B1 Intermediates for macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS INC (US) 2017-08-16 EP disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 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-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110288163-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR MALLINCKRODT US HOLDINGS LLC 2011-11-24 US disclosed
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 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-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-08-06 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
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 (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-20110288163-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR FFAR1 90/4885FFAR4 124/4885SCD 1195/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 FFAR1 161/4885FFAR4 402/4885SCD 4802/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR FFAR1 86/4885FFAR4 114/4885SCD 1327/4885
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR FFAR1 150/4885FFAR4 211/4885SCD 2090/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR FFAR1 86/4885FFAR4 114/4885SCD 1327/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 FFAR1 161/4885FFAR4 402/4885SCD 4802/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR FFAR1 103/4885FFAR4 145/4885SCD 1584/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 FFAR1 132/4885FFAR4 336/4885SCD 4809/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR FFAR1 86/4885FFAR4 114/4885SCD 1327/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 FFAR1 161/4885FFAR4 402/4885SCD 4802/4885

“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.