SCHEMBL3367341

SCHEMBL3367341

C[N]C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ BCHE P06276 7/20 0.54
▸ ACHE P22303 5/20 0.54
▸ BACE1 P56817 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 1/20 0.49

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
SCHEMBL5121429 0.90 BCHE (0.64) CYP2D6CYP1A2CYP3A4CYP2C19BCHE
SCHEMBL19230351 0.84 CYP2D6 (0.60) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL17301755 0.81 CYP2D6 (0.56) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3366239 0.80 ACHE (0.67) BCHEACHEBACE1
SCHEMBL13083 0.79 CYP3A4 (0.66) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12717 0.79 CYP3A4 (0.66) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5304179 0.79 CYP3A4 (0.66) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4815665 0.77 CYP2D6 (0.68) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12424602 0.76 CYP2D6 (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13182778 0.76 CYP2D6 (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19

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
EP-1730115-B1 5-AMINOALKYLPYRAZOLE DERIVATIVES AS PESTICIDAL AGENTS MERIAL LTD (US) 2010-06-09 — — EP disclosed
US-7659288-B2 5-[N-Methyl-N-(phthalimidomethyl)amino]-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole; used in oral form so as to prevent the possible contamination of humans or the surrounding environment; used in lower dose MERIAL LIMITED (US) 2010-02-09 — — US disclosed
US-20070149575-A1 5-Aminoalkylpyrazole derivatives as pesticidal agents MERIAL, INC. 2007-06-28 — — 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-20070149575-A1 5-Aminoalkylpyrazole derivatives as pesticidal agents DDT, AASDHPPT, ACHE CYP2D6 277/4885ALDH1A1 518/4885CYP1A2 94/4885

“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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