SCHEMBL765677

SCHEMBL765677

COc1ccccc1C[C@@H](C)CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
AGTR1 P30556 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
IDO1 P14902 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 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
SCHEMBL748982 1.00 LMNA (0.50) LMNAAGTR1CYP1A2CHRM2CHRM1
SCHEMBL18505011 1.00 LMNA (0.50) LMNAAGTR1CYP1A2CHRM2CHRM1
SCHEMBL7506353 0.85 LMNA (0.59) LMNAAGTR1CYP1A2CHRM2CHRM1
SCHEMBL7506347 0.85 LMNA (0.59) LMNAAGTR1CYP1A2CHRM2CHRM1
SCHEMBL23961372 0.83 IDO1 (0.48) CHRM2CHRM1IDO1TAAR1HPGD
SCHEMBL8221027 0.83 IDO1 (0.48) CHRM2CHRM1IDO1TAAR1HPGD
SCHEMBL9480536 0.82 IDO1 (0.52) LMNAAGTR1CYP1A2CHRM2CHRM1
SCHEMBL4450092 0.81 IDO1 (0.47) CHRM2CHRM1IDO1TAAR1HPGD
SCHEMBL6014412 0.81 TAAR1 (0.56) LMNACHRM2CHRM1IDO1TAAR1
SCHEMBL14520623 0.81 IDO1 (0.50) LMNACHRM2CHRM1IDO1TAAR1

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
EP-2316846-B1 Spatially-defined macrocyclic compounds useful for drug discovery OCERA THERAPEUTICS INC (US) 2019-10-02 EP disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 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-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-2118080-B1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME OCERA THERAPEUTICS INC (US) 2016-08-31 EP disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 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-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
EP-2644618-A1 tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators Tranzyme Pharma, Inc. (CA) 2013-10-02 EP disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
US-20110237785-A1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY MALLINCKRODT CARRIBEAN, INC. 2011-09-29 US disclosed
US-8022252-B2 Spatially-defined macrocyclic compounds useful for drug discovery TRANZYME PHARMA INC. (CA) 2011-09-20 US disclosed
EP-2319859-A2 Spatially-defined macrocyclic compounds useful for drug discovery Tranzyme Pharma Inc. (CA) 2011-05-11 EP disclosed
EP-2316846-A2 Spatially-defined macrocyclic compounds useful for drug discovery Tranzyme Pharma Inc. (CA) 2011-05-04 EP disclosed
EP-1648922-B1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY TRANZYME PHARMA INC (CA) 2010-12-01 EP disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20090137817-A1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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 (5 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-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 LMNA 4810/4885AGTR1 1506/4885CYP1A2 2395/4885
US-20110237785-A1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY MLNR, GIPR, CCKAR LMNA 4851/4885AGTR1 202/4885CYP1A2 3399/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR LMNA 3523/4885AGTR1 278/4885CYP1A2 2265/4885
US-20090137817-A1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY MLNR, GIPR, CCKAR LMNA 4851/4885AGTR1 202/4885CYP1A2 3399/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR LMNA 3492/4885AGTR1 267/4885CYP1A2 2240/4885

“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.