SCHEMBL6853359

SCHEMBL6853359

CN(C)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
TGM2 P21980 9/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F13A1 P00488 6/20 0.45
TGM1 P22735 3/20 0.45
STS P08842 1/20 0.43

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
SCHEMBL6958889 0.84 GAA (0.47) GAATGM2SMN1; SMN2USP2ALDH1A1
SCHEMBL20669117 0.82 GAA (0.44) GAATGM2SMN1; SMN2USP2
SCHEMBL7406478 0.81 USP2 (0.53) TGM2SMN1; SMN2USP2F13A1TGM1
SCHEMBL1487081 0.81 USP2 (0.53) TGM2SMN1; SMN2USP2F13A1TGM1
SCHEMBL56379 0.81 USP2 (0.53) TGM2SMN1; SMN2USP2L3MBTL1F13A1
SCHEMBL31616186 0.81 GAA (0.42) GAATGM2SMN1; SMN2USP2
SCHEMBL698803 0.80 USP2 (0.69) SMN1; SMN2USP2ALDH1A1
SCHEMBL18294 0.80 USP2 (0.69) SMN1; SMN2USP2ALDH1A1
SCHEMBL2249760 0.79 USP2 (0.51) GAATGM2SMN1; SMN2USP2L3MBTL1
SCHEMBL21981388 0.79 GAA (0.41) GAATGM2SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 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-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 GAA 2857/4885TGM2 4523/4885SMN1; SMN2 4508/4885

“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.