SCHEMBL16050277

SCHEMBL16050277

CCC(=O)OC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 8/20 0.43
▸ LPL P06858 7/20 0.43
▸ OPRM1 P35372 3/20 0.41
▸ OPRD1 P41143 3/20 0.41
▸ OPRK1 P41145 3/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ F11 P03951 2/20 0.39
▸ P4HB P07237 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA3 P07451 1/20 0.37

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
SCHEMBL28490255 0.83 CA1 (0.44) LIPGLPLCA1CA2CA9
SCHEMBL16908889 0.81 CA1 (0.40) LIPGLPLCA1CA2CA9
SCHEMBL22657406 0.79 AAK1 (0.43) LIPGLPLCA1CA2CA9
SCHEMBL1534612 0.78 CA1 (0.43) LIPGLPLCA1CA2CA9
SCHEMBL28817158 0.76 AAK1 (0.38) LIPGLPLCA1CA2CA9
SCHEMBL16050350 0.76 LPL (0.47) LIPGLPLCA1CA2CA9
SCHEMBL29257111 0.75 LPL (0.46) LIPGLPLCA1CA2CA9
SCHEMBL28398971 0.75 OPRM1 (0.65) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL6059 0.74 GAA (0.49) LIPGLPLCA1CA2CA9
SCHEMBL22871651 0.73 LIPG (0.54) LIPGLPLCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970119-B1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-11-03 — — EP disclosed
US-9650375-B2 Indole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2017-05-16 — — US disclosed
EP-2970119-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2016-01-20 — — EP disclosed
US-20160002224-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2016-01-07 — — US disclosed
WO-2014139388-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — 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-20160002224-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS GPR119, PRKAG2, PRKAG1 LIPG 179/4885LPL 415/4885OPRM1 3069/4885

“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.

Send feedback