SCHEMBL12220300

SCHEMBL12220300

CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(I)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CC2CC2)NC1=O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MLNR O43193 20/20 0.73

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
SCHEMBL73769 0.93 MLNR (0.83) MLNR
SCHEMBL75373 0.93 MLNR (0.72) MLNR
SCHEMBL74022 0.93 MLNR (0.83) MLNR
SCHEMBL12220293 0.92 MLNR (0.72) MLNR
SCHEMBL74052 0.92 MLNR (0.82) MLNR
SCHEMBL12220299 0.91 MLNR (0.78) MLNR
SCHEMBL10051182 0.91 MLNR (0.70) MLNR
SCHEMBL12219740 0.91 MLNR (0.75) MLNR
SCHEMBL10057876 0.91 MLNR (0.87) MLNR
SCHEMBL74031 0.90 MLNR (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 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 (3 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-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 MLNR 1/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 MLNR 1/4885
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX MLNR, CCKAR, CCKBR MLNR 1/4885

“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.