SCHEMBL15345175

SCHEMBL15345175

O=C(O)[C@@H]1CCCCN1C(=O)NOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.59
LTA4H P09960 5/20 0.51
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGA4 P13612 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 2/20 0.47

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
SCHEMBL18713855 0.88 FKBP1A (0.55) FKBP1A
SCHEMBL82714 0.80 PREP (0.62) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL28450788 0.80 FKBP1A (0.50) FKBP1ALTA4HALDH1A1SMN1; SMN2ACE
SCHEMBL28989843 0.80 FKBP1A (0.50) FKBP1ALTA4HALDH1A1SMN1; SMN2ACE
SCHEMBL630208 0.80 PREP (0.62) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL630241 0.80 PREP (0.62) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL28450790 0.80 FKBP1A (0.50) FKBP1ALTA4HALDH1A1SMN1; SMN2ACE
SCHEMBL7650461 0.79 PREP (0.61) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL7648948 0.79 PREP (0.61) FKBP1AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29077433 0.79 PREP (0.61) FKBP1AALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505761-B2 Bicyclic compounds and their use as antibacterial agents and beta-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2016-11-29 US disclosed
US-9393239-B2 Bicyclic compounds and their use as antibacterial agents and betalactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2016-07-19 US disclosed
US-8877743-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2014-11-04 US disclosed
US-20140288051-A1 BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETA-LACTAMASE INHIBITORS FEDORA PHARMACEUTICALS INC. (CA) 2014-09-25 US disclosed
US-8796257-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2014-08-05 US disclosed
US-20130281359-A1 NEW BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETA-LACTAMASE INHIBITORS FEDORA PHARMACEUTICALS INC. (CA) 2013-10-24 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-20140288051-A1 BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETA-LACTAMASE INHIBITORS MGAM, PGLS, MRPL21 FKBP1A 2626/4885LTA4H 896/4885ITGB3 4434/4885
US-20130281359-A1 NEW BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETA-LACTAMASE INHIBITORS MRPL21, MGAM, BACE1 FKBP1A 3207/4885LTA4H 720/4885ITGB3 4436/4885

“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.