SCHEMBL73789

SCHEMBL73789

CC1CCNC(=O)[C@H](CC2CC2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MLNR O43193 18/20 0.59
GHSR Q92847 2/20 0.54

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
SCHEMBL13410376 0.93 MLNR (0.55) MLNRGHSR
SCHEMBL21417689 0.92 MLNR (0.62) MLNRGHSR
SCHEMBL73302 0.92 MLNR (0.62) MLNRGHSR
SCHEMBL13392378 0.91 MLNR (0.65) MLNRGHSR
SCHEMBL13392520 0.88 MLNR (0.76) MLNR
SCHEMBL13392523 0.88 MLNR (0.62) MLNRGHSR
SCHEMBL11982866 0.88 MLNR (0.62) MLNRGHSR
SCHEMBL13010991 0.86 MLNR (0.55) MLNRGHSR
SCHEMBL12658148 0.85 MLNR (0.61) MLNR
SCHEMBL11982881 0.85 MLNR (0.60) MLNR

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 30 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-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 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-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120226067-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-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-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-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 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-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 US disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 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 (7 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 MLNR 1/4885GHSR 30/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 MLNR 1/4885GHSR 28/4885
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 MLNR 1/4885GHSR 10/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 MLNR 1/4885GHSR 30/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 MLNR 1/4885GHSR 31/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR MLNR 1/4885GHSR 31/4885
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX MLNR, CCKAR, CCKBR MLNR 1/4885GHSR 37/4885

“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.