SCHEMBL2631738

SCHEMBL2631738

N#Cc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
AR P10275 11/20 0.50
PRKCQ Q04759 2/20 0.47
PRKCD Q05655 2/20 0.47
CNR2 P34972 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
SLC22A12 Q96S37 1/20 0.44

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
SCHEMBL945128 1.00 TRPA1 (0.59) TRPA1ARPRKCQPRKCDCNR2
SCHEMBL945129 1.00 TRPA1 (0.59) TRPA1ARPRKCQPRKCDCNR2
SCHEMBL15353735 0.86 TRPA1 (0.45) TRPA1ARPRKCQPRKCDCNR2
SCHEMBL12917310 0.86 TRPA1 (0.45) TRPA1ARPRKCQPRKCDCNR2
SCHEMBL20274188 0.86 TRPA1 (0.53) TRPA1ARCNR2TAS2R14SLC22A12
SCHEMBL29666012 0.86 TRPA1 (0.53) TRPA1ARCNR2TAS2R14SLC22A12
SCHEMBL20274107 0.86 TRPA1 (0.61) TRPA1ARCNR2
SCHEMBL28222848 0.85 TRPA1 (0.54) TRPA1ARCNR2TAS2R14SLC22A12
SCHEMBL16321793 0.85 TRPA1 (0.57) TRPA1ARCNR2TAS2R14SLC22A12
SCHEMBL381677 0.84 TRPA1 (0.53) TRPA1ARCNR2TAS2R14SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 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 (2 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO TRPA1 293/4885AR 4080/4885PRKCQ 2502/4885
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 TRPA1 530/4885AR 4346/4885PRKCQ 2694/4885

“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.