SCHEMBL3548161

SCHEMBL3548161

CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.53
CCR8 P51685 1/20 0.53
KDM4E B2RXH2 5/20 0.52
USP30 Q70CQ3 1/20 0.50
SLC18A3 Q16572 1/20 0.50
LTA4H P09960 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL21593409 1.00 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL21593413 1.00 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL3551153 1.00 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL29198358 1.00 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
Hydrochloric Acid SCHEMBL28818356 0.99 L3MBTL1 (0.56) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL4862883 0.90 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
Hydrochloric Acid SCHEMBL28818373 0.89 L3MBTL1 (0.56) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL13606446 0.88 USP30 (0.55) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL6506033 0.88 USP30 (0.55) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL6506401 0.88 USP30 (0.55) L3MBTL1ATMALDH1A1CCR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US disclosed
WO-2007122258-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS L3MBTL1 1885/4885ATM 3922/4885ALDH1A1 3689/4885

“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.