SCHEMBL16597546

SCHEMBL16597546

CC(C)(C)OC(=O)n1c2ccncc2c2ccc(-c3ccc([N+](C)(C)C)nc3)cc21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.35
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ F2 P00734 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ MMP13 P45452 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
SCHEMBL16610290 0.90 GABRG2 (0.39) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL18012185 0.80 GABRG2 (0.41) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL16597484 0.80 GABRG2 (0.37) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL27098484 0.79 GPR119 (0.33) NR1H2GABRG2GABRB3GABRA5GPR119
SCHEMBL27098409 0.79 GPR119 (0.33) NR1H2GABRG2GABRB3GABRA5GPR119
SCHEMBL16597487 0.78 GABRG2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL27098108 0.77 F2 (0.33) NR1H2GABRG2GABRB3GABRA5GPR119
SCHEMBL16597485 0.76 GABRG2 (0.33) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL16268180 0.76 GABRG2 (0.38) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL16610350 0.75 GPR119 (0.46) 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 6 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
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 disclosed
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 disclosed
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 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-20160228586-A1 Compounds and Their Use for Preparation of Tau Imaging Agents and Tau Imaging Formulations MAPT, PSEN1, PSEN2 NR1H2 2170/4885GABRG2 2161/4885GABRB3 1780/4885

“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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