SCHEMBL729666

SCHEMBL729666

CC(C1CCNC1)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.32
SLC6A4 P31645 7/20 0.32
SLC6A3 Q01959 7/20 0.32
KCNH2 Q12809 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
SCHEMBL8329717 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8326601 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8328746 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8329735 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL528681 0.86 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL18081016 0.86 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL31647118 0.76 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL438916 0.75
SCHEMBL1109034 0.75
SCHEMBL1104705 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138346-B2 Method for synthesis of 8-alkoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones ACHILLION PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7902365-B2 Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2008-03-20 US disclosed
WO-2008021491-A2 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 US disclosed
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP disclosed
EP-0909759-A2 Individual stereoisomers of 7-(3-aminoalkyl)-1-pyrrolidinyl)-quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1999-04-21 EP disclosed
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed
EP-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 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 (3 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-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 SLC6A2 3028/4885SLC6A4 3549/4885SLC6A3 2523/4885
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 SLC6A2 2410/4885SLC6A4 1314/4885SLC6A3 660/4885
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 SLC6A2 2410/4885SLC6A4 1314/4885SLC6A3 660/4885

“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.