SCHEMBL13392507

SCHEMBL13392507

CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)NCCOc2ccccc2CCCNC1=O

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 19/20 0.84
▸ GHSR Q92847 1/20 0.69

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
SCHEMBL75370 0.92 MLNR (0.85) MLNR
SCHEMBL73793 0.92 MLNR (0.88) MLNRGHSR
SCHEMBL73723 0.91 MLNR (0.89) MLNRGHSR
SCHEMBL12219741 0.91 MLNR (0.89) MLNRGHSR
SCHEMBL73309 0.90 MLNR (1.00) MLNR
SCHEMBL75379 0.90 MLNR (0.88) MLNRGHSR
SCHEMBL73791 0.89 MLNR (1.00) MLNRGHSR
SCHEMBL73745 0.88 MLNR (0.82) MLNR
SCHEMBL74135 0.87 MLNR (1.00) MLNRGHSR
SCHEMBL73783 0.87 MLNR (0.84) 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 2 patents. 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
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 (2 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
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.

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