SCHEMBL5743835

SCHEMBL5743835

CN1CC[C@@H](Oc2cc(C(N)=O)ccc2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.51
▸ UTS2R Q9UKP6 13/20 0.48
▸ SLC5A7 Q9GZV3 1/20 0.48
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL6176806 1.00 CHEK2 (0.51) CHEK2UTS2RSLC5A7HTR2CHTR2B
SCHEMBL5741829 0.86 OPRK1 (0.55) CHEK2UTS2RSLC5A7HTR2CHTR2B
SCHEMBL5742254 0.86 OPRK1 (0.55) CHEK2UTS2RSLC5A7HTR2CHTR2B
SCHEMBL7031287 0.86 PDE4B (0.56) CHEK2SLC5A7
SCHEMBL6177433 0.86 OPRK1 (0.55) CHEK2UTS2RSLC5A7HTR2CHTR2B
SCHEMBL5741837 0.85 CHEK2 (0.51) CHEK2SLC5A7HTR2CHTR2B
SCHEMBL5744137 0.81 UTS2R (0.51) CHEK2UTS2R
SCHEMBL5742176 0.81 UTS2R (0.51) CHEK2UTS2R
SCHEMBL5743838 0.80 UTS2R (0.52) UTS2RHTR2CHTR2B
SCHEMBL5835364 0.80 UTS2R (0.52) UTS2RHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385840-B1 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2006-10-04 — — EP claimed
US-7091204-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 — — US claimed
EP-1385840-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-11-23 — — EP claimed
EP-1385841-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-03-02 — — EP claimed
US-20040152891-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US claimed
US-20040142948-A1 Sulfonamides DHANAK DASHYANT (US) 2004-07-22 — — US claimed
EP-1385840-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 — — EP claimed
EP-1385841-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 — — EP claimed
WO-2002090353-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — WO claimed
WO-2002090348-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — WO claimed
EP-1385840-B1 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2006-10-04 — — EP disclosed
US-7091204-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 — — US disclosed
EP-1385840-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-11-23 — — EP disclosed
EP-1385841-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-03-02 — — EP disclosed
US-20040152891-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US disclosed
US-20040142948-A1 Sulfonamides DHANAK DASHYANT (US) 2004-07-22 — — US disclosed
EP-1385840-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 — — EP disclosed
EP-1385841-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 — — EP disclosed
WO-2002090353-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — WO disclosed
WO-2002090348-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — 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 (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-20040152891-A1 Sulfonamides UTS2R, PRSS2, STS CHEK2 4084/4885UTS2R 1/4885SLC5A7 3060/4885
US-20040142948-A1 Sulfonamides UTS2R, PRSS2, STS CHEK2 4084/4885UTS2R 1/4885SLC5A7 3060/4885

“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.

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