SCHEMBL23346565

SCHEMBL23346565

CNC[C@@H]1CN[C@H](CNC(=O)C(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31

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
SCHEMBL20685675 0.86 MTNR1A (0.32) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL23165445 0.86 MTNR1A (0.32) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL20685659 0.86 MTNR1A (0.32) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL23165447 0.86 MTNR1A (0.32) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL23346524 0.84 LMNA (0.35) —
SCHEMBL23346522 0.84 FUCA1 (0.41) MTNR1AMTNR1B
SCHEMBL23346519 0.83 MTNR1A (0.32) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL20685673 0.79 MTNR1A (0.33) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL22005536 0.75 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL23346582 0.74 — —

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-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-05-13 — — 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-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MTNR1A 4030/4885MTNR1B 3864/4885DPP4 1744/4885

“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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