SCHEMBL5741829

SCHEMBL5741829

Cc1ccc(C(N)=O)cc1O[C@@H]1CCN(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 4/20 0.55
▸ CHEK2 O96017 2/20 0.52
▸ OPRM1 P35372 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ UTS2R Q9UKP6 2/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5742254 1.00 OPRK1 (0.55) OPRK1CHEK2OPRM1KCNH2SCN1A
SCHEMBL6177433 1.00 OPRK1 (0.55) OPRK1CHEK2OPRM1KCNH2SCN1A
SCHEMBL7031287 0.87 PDE4B (0.56) CHEK2MCHR1PDE4APDE4BPDE4C
SCHEMBL6176806 0.86 CHEK2 (0.51) CHEK2UTS2RHTR2CHTR2BSLC5A7
SCHEMBL5741837 0.86 CHEK2 (0.51) OPRK1CHEK2OPRM1KCNH2SCN1A
SCHEMBL5743835 0.86 CHEK2 (0.51) CHEK2UTS2RHTR2CHTR2BSLC5A7
SCHEMBL5742176 0.83 UTS2R (0.51) CHEK2UTS2RKDM4E
SCHEMBL5744137 0.83 UTS2R (0.51) CHEK2UTS2RKDM4E
SCHEMBL27471911 0.82 PDE4B (0.59) OPRK1PDE4APDE4BPDE4CPDE4D
SCHEMBL5742260 0.79 HTR2C (0.46) OPRM1HTR2CHTR2B

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 12 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
US-20040152891-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US claimed
EP-1385840-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 — — EP 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
US-20040152891-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US disclosed
EP-1385840-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 — — EP 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 (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-20040152891-A1 Sulfonamides UTS2R, PRSS2, STS OPRK1 2519/4885CHEK2 4084/4885OPRM1 2138/4885

“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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