SCHEMBL2630690

SCHEMBL2630690

N#Cc1ccc(N[C@H]2CC[C@H](OCC(=S)N3CCN(c4ccc(N)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.43
▸ TRPA1 O75762 1/20 0.38
▸ RET P07949 2/20 0.36
▸ TIPARP Q7Z3E1 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ MAPT P10636 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
SCHEMBL2120861 0.92 AR (0.44) ARTRPA1MAPT
SCHEMBL2617885 0.92 AR (0.52) ARTRPA1TIPARP
SCHEMBL2617817 0.92 AR (0.52) ARTRPA1TIPARP
SCHEMBL2617818 0.92 AR (0.44) ARTRPA1MAPT
SCHEMBL2120737 0.92 AR (0.52) ARTRPA1TIPARP
SCHEMBL2617881 0.92 AR (0.44) ARTRPA1MAPT
SCHEMBL2617876 0.91 AR (0.43) ARTRPA1TIPARP
SCHEMBL2617819 0.91 AR (0.43) ARTRPA1TIPARP
SCHEMBL2119055 0.91 AR (0.43) ARTRPA1TIPARP
SCHEMBL2617878 0.84 AR (0.44) ARTRPA1

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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 AR 4346/4885TRPA1 530/4885RET 4682/4885

“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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