SCHEMBL73794

SCHEMBL73794

CCCCc1ccc(F)cc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
CNR1 P21554 5/20 0.44
LTB4R Q15722 7/20 0.43
LTB4R2 Q9NPC1 6/20 0.43
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 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
SCHEMBL74805 0.89 TYR (0.42) CNR2CNR1LTB4RLTB4R2TYR
SCHEMBL12634447 0.88 KCNH2 (0.44) LTB4RLTB4R2TYRMEN1KMT2A
SCHEMBL13696635 0.85 MPO (0.42) LTB4RLTB4R2KCNH2TMEM97SIGMAR1
SCHEMBL12377642 0.84 TSHR (0.46) CNR2CNR1TYRTSHRMEN1
SCHEMBL9632842 0.83 FAAH (0.43) MEN1KMT2AKCNH2TMEM97SIGMAR1
SCHEMBL13191452 0.83 FAAH (0.43) CNR2LTB4RLTB4R2TSHRPSEN1
SCHEMBL13743842 0.82 ALDH1A1 (0.44) CNR2CNR1TYRTSHRPSEN1
SCHEMBL12634460 0.81 PSEN1 (0.39) CNR2CNR1LTB4RLTB4R2TYR
SCHEMBL10051307 0.81 SLC6A4 (0.39) CNR2CNR1LTB4RLTB4R2KCNH2
SCHEMBL73774 0.81 LTB4R (0.48) LTB4RLTB4R2PSEN1PSEN2APH1B

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 21 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-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US 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-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 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-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120226067-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-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 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-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-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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 (14 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 CNR2 283/4885CNR1 139/4885LTB4R 576/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CNR2 336/4885CNR1 150/4885LTB4R 611/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CNR2 336/4885CNR1 150/4885LTB4R 611/4885
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 CNR2 4758/4885CNR1 4716/4885LTB4R 1371/4885
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR CNR2 228/4885CNR1 193/4885LTB4R 1523/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 CNR2 336/4885CNR1 150/4885LTB4R 611/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 CNR2 283/4885CNR1 139/4885LTB4R 576/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR CNR2 298/4885CNR1 160/4885LTB4R 2345/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 CNR2 290/4885CNR1 143/4885LTB4R 577/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR CNR2 287/4885CNR1 180/4885LTB4R 1473/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR CNR2 302/4885CNR1 138/4885LTB4R 520/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR CNR2 310/4885CNR1 178/4885LTB4R 1627/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CNR2 336/4885CNR1 150/4885LTB4R 611/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 CNR2 4818/4885CNR1 4754/4885LTB4R 1422/4885

“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.