SCHEMBL2680165

SCHEMBL2680165

C#Cc1cccc(CN(C(=O)CCCC)c2cc(-c3nnn[nH]3)ccc2F)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.74
LTB4R2 Q9NPC1 8/20 0.39

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
SCHEMBL2681706 0.88 PTGDR2 (0.71) PTGDR2
SCHEMBL2680387 0.84 PTGDR2 (0.73) PTGDR2LTB4R2
SCHEMBL2680885 0.80 PTGDR2 (0.74) PTGDR2LTB4R2
SCHEMBL949488 0.77 PTGDR2 (0.74) PTGDR2LTB4R2
SCHEMBL2680465 0.75 PTGDR2 (0.73) PTGDR2
SCHEMBL2681637 0.74 PTGDR2 (0.45) PTGDR2LTB4R2
SCHEMBL2681481 0.73 PTGDR2 (0.55) PTGDR2LTB4R2
SCHEMBL2680544 0.72 PTGDR2 (0.72) PTGDR2
SCHEMBL951091 0.71 PTGDR2 (0.72) PTGDR2LTB4R2
SCHEMBL951943 0.71 PTGDR2 (0.73) PTGDR2LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885LTB4R2 51/4885

“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.