SCHEMBL13119615

SCHEMBL13119615

[C-]#[N+]c1cc(Cl)cc(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34

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
SCHEMBL12789152 0.77 TSHR (0.50) —
SCHEMBL422198 0.77 TSHR (0.50) GABRA1GABRB1
SCHEMBL11574451 0.77 GABRA1 (0.46) GABRA1GABRB1
SCHEMBL12868157 0.75 — —
Ammonia Solution, Strong SCHEMBL5676040 0.74 TSHR (0.47) GABRA1GABRB1
Hydrogen Peroxide SCHEMBL11577393 0.72 GABRA1 (0.48) GABRA1GABRB1
SCHEMBL11960296 0.71 — —
SCHEMBL12297348 0.71 FFAR4 (0.34) —
SCHEMBL12204680 0.71 ESR1 (0.34) —
SCHEMBL1102398 0.70 TYR (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 — — US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 — — US 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-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E GABRA1 4211/4885GABRB1 4526/4885

“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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