SCHEMBL21539650

SCHEMBL21539650

CCC(=O)N[C@H]1Cc2cccc(C(O)OCOC(=O)OC3CC3)c2OB1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL18797966 0.89 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL18797975 0.86 — —
SCHEMBL19228029 0.85 MTNR1A (0.32) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL23130214 0.85 MTNR1A (0.33) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18797979 0.84 MTNR1A (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957194 0.83 MTNR1A (0.36) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957196 0.83 MTNR1A (0.36) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18797978 0.83 MTNR1A (0.34) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL22667424 0.82 MTNR1A (0.34) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL23837421 0.81 MTNR1A (0.33) MTNR1AMTNR1B

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-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MTNR1A 3641/4885MTNR1B 3337/4885CYP1A2 510/4885

“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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