SCHEMBL18797986

SCHEMBL18797986

C#CCCC(=O)N[C@H]1Cc2cccc(C(O)OCCCC)c2OB1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ TAOK3 Q9H2K8 3/20 0.31
▸ TAOK1 Q7L7X3 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ GRM5 P41594 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
SCHEMBL19227891 0.92 MTNR1A (0.32) MTNR1AMTNR1BTAOK3TAOK1
SCHEMBL18797989 0.91 MTNR1A (0.32) MTNR1AMTNR1BDRD2GRM5
SCHEMBL22667424 0.89 MTNR1A (0.34) MTNR1AMTNR1BTAOK3TAOK1
SCHEMBL23129944 0.88 MTNR1A (0.31) MTNR1AMTNR1BTAOK3TAOK1
SCHEMBL22667460 0.88 SMN1; SMN2 (0.31) MTNR1AMTNR1BTAOK3TAOK1
SCHEMBL18797990 0.88 MTNR1A (0.32) MTNR1AMTNR1BDRD2GRM5
SCHEMBL18797987 0.86 — —
SCHEMBL19228022 0.86 TAOK3 (0.33) TAOK3TAOK1
SCHEMBL18797988 0.85 — —
SCHEMBL19662964 0.83 — —

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-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 — — US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 — — US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — 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-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MTNR1A 3641/4885MTNR1B 3337/4885TAOK3 3597/4885

“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.

Send feedback