SCHEMBL91154

SCHEMBL91154

CC(C)(CCCOc1ccc(Cl)cc1Br)[Si](C)(C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 8/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 9/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.46
THRB P10828 1/20 0.46
S1PR4 O95977 1/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43

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 0.84 PKM (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10051529 0.81 AR (0.40) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10280519 0.80 PRSS1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL91350 0.80 F2 (0.67)
SCHEMBL9882896 0.79 POLB (0.38) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL8272350 0.79 MAPT (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL91239 0.77 FFAR1 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL12849033 0.76 MAOA (0.36) SMN1; SMN2ALDH1A1CYP1A2CYP2C9KDM4E
SCHEMBL30883283 0.76 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10280540 0.75 S1PR4 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 US disclosed
US-8334256-B2 Pharmaceutical salts of macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2012-12-18 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-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 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-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
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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 SMN1; SMN2 465/4885ALDH1A1 2978/4885MEN1 73/4885
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SMN1; SMN2 2327/4885ALDH1A1 3993/4885MEN1 1118/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SMN1; SMN2 2327/4885ALDH1A1 3993/4885MEN1 1118/4885
US-20130211045-A1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GIPR, GHRHR SMN1; SMN2 2327/4885ALDH1A1 3993/4885MEN1 1118/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 SMN1; SMN2 465/4885ALDH1A1 2978/4885MEN1 73/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 SMN1; SMN2 407/4885ALDH1A1 2729/4885MEN1 80/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR SMN1; SMN2 2327/4885ALDH1A1 3993/4885MEN1 1118/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR SMN1; SMN2 2489/4885ALDH1A1 3842/4885MEN1 982/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR SMN1; SMN2 425/4885ALDH1A1 3005/4885MEN1 77/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 SMN1; SMN2 465/4885ALDH1A1 2978/4885MEN1 73/4885

“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.