SCHEMBL2617822

SCHEMBL2617822

N#Cc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 18/20 0.52
▸ TRPA1 O75762 1/20 0.38
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL2119323 1.00 AR (0.52) ARTRPA1CHEK1
SCHEMBL2617896 1.00 AR (0.52) ARTRPA1CHEK1
SCHEMBL2120256 0.92 AR (0.44) ARTRPA1
SCHEMBL2617878 0.92 AR (0.44) ARTRPA1
SCHEMBL2119280 0.91 AR (0.56) AR
SCHEMBL2617851 0.91 AR (0.56) AR
SCHEMBL2617789 0.91 AR (0.56) AR
SCHEMBL2617884 0.90 AR (0.45) ARTRPA1
SCHEMBL2118009 0.90 AR (0.45) ARTRPA1
SCHEMBL2617813 0.88 AR (0.42) ARCHEK1

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 — — US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — US disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 — — 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 AR 4346/4885TRPA1 530/4885CHEK1 4873/4885

“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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