SCHEMBL16597487

SCHEMBL16597487

Cc1cc([N+](C)(C)C)ncc1-c1ccc2c3cnccc3n(C(=O)OC(C)(C)C)c2c1.O=[SH](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ GPR119 Q8TDV5 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
SCHEMBL16597484 0.96 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16610290 0.83 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597485 0.82 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597546 0.78 NR1H2 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18012185 0.76 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597877 0.74 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16610350 0.74 GPR119 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL23010089 0.72 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16268180 0.72 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597821 0.71 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228586-A1 Compounds and Their Use for Preparation of Tau Imaging Agents and Tau Imaging Formulations LILLY CO ELI (US) 2016-08-11 — — US claimed
EP-3049414-A1 COMPOUNDS AND THEIR USE FOR PREPARATION OF TAU IMAGING AGENTS AND TAU IMAGING FORMULATIONS Eli Lilly and Company (US) 2016-08-03 — — EP claimed
WO-2015047902-A1 COMPOUNDS AND THEIR USE FOR PREPARATION OF TAU IMAGING AGENTS AND TAU IMAGING FORMULATIONS ELI LILLY AND COMPANY (US) 2015-04-02 — — WO claimed

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-20160228586-A1 Compounds and Their Use for Preparation of Tau Imaging Agents and Tau Imaging Formulations MAPT, PSEN1, PSEN2 GABRG2 2161/4885GABRB3 1780/4885GABRA5 1224/4885

“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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