SCHEMBL18957196

SCHEMBL18957196

CCC(=O)NC1Cc2cccc(C(=O)OCOC(=O)OC3CC3)c2OB1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KCNA3 P22001 1/20 0.30

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
SCHEMBL18957194 1.00 MTNR1A (0.36) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957071 0.96 MTNR1A (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957249 0.96 MTNR1A (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957070 0.96 MTNR1A (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957251 0.96 MTNR1A (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL17337484 0.96 MAPT (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL17337487 0.96 MAPT (0.35) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18966808 0.92 MTNR1A (0.34) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL23130054 0.89 MTNR1A (0.36) MTNR1AMTNR1BMAPTALDH1A1ATM
SCHEMBL17347753 0.89 MTNR1A (0.36) MTNR1AMTNR1BMAPTALDH1A1ATM

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-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MTNR1A 3641/4885MTNR1B 3337/4885CYP1A2 510/4885
US-20180291039-A1 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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