SCHEMBL4569944

SCHEMBL4569944

CC(C)c1ccnc(C2CC2(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.43
▸ PAK3 O75914 1/20 0.31
▸ PAK1 Q13153 1/20 0.31
▸ PAK2 Q13177 1/20 0.31
▸ MDM2 Q00987 1/20 0.31

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
SCHEMBL4569947 0.75 CHRNA7 (0.47) CHRNA7
SCHEMBL24471039 0.75 CHRNA7 (0.42) CHRNA7
SCHEMBL38657978 0.74 ASIC3 (0.39) —
SCHEMBL25588446 0.72 CHRNA7 (0.36) CHRNA7
SCHEMBL15999369 0.71 CHRNA7 (0.44) CHRNA7
SCHEMBL22545236 0.71 CHRNA7 (0.44) CHRNA7
SCHEMBL20890037 0.71 CHRNA7 (0.38) CHRNA7
SCHEMBL20890033 0.70 CHRNA7 (0.37) CHRNA7
SCHEMBL20890030 0.70 CHRNA7 (0.35) CHRNA7
SCHEMBL24823782 0.70 CHRNA7 (0.43) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122679-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-17 — — 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-20120122679-A1 MESOIONIC PESTICIDES CHRM2, CHRM5, CHRM1 CHRNA7 9/4885PAK3 4556/4885PAK1 4397/4885

“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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