SCHEMBL13410376

SCHEMBL13410376

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

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MLNR O43193 19/20 0.55
GHSR Q92847 1/20 0.53

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
SCHEMBL13392378 0.93 MLNR (0.65) MLNRGHSR
SCHEMBL73789 0.93 MLNR (0.59) MLNRGHSR
SCHEMBL12220298 0.92 MLNR (0.64) MLNRGHSR
SCHEMBL91166 0.87 MLNR (0.58) MLNRGHSR
SCHEMBL12220293 0.87 MLNR (0.72) MLNR
SCHEMBL91248 0.85 MLNR (0.71) MLNRGHSR
SCHEMBL21417689 0.84 MLNR (0.62) MLNRGHSR
SCHEMBL73302 0.84 MLNR (0.62) MLNRGHSR
SCHEMBL73799 0.84 MLNR (0.64) MLNRGHSR
SCHEMBL91253 0.84 MLNR (0.57) MLNRGHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MLNR 1/4885GHSR 10/4885

“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.