SCHEMBL5214583

SCHEMBL5214583

CN(CC1CCc2c(cccc2OCC(=O)O)C1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 20/20 0.57
PTGDR Q13258 9/20 0.57

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
SCHEMBL5214413 0.91 CKS1B (0.48) PTGIRPTGDR
SCHEMBL5213730 0.84 CKS1B (0.43) PTGIRPTGDR
SCHEMBL5212415 0.78 PTGIR (0.46) PTGIRPTGDR
SCHEMBL8858594 0.75 PTGIR (0.63) PTGIRPTGDR
SCHEMBL8858496 0.75 PTGIR (0.66) PTGIRPTGDR
SCHEMBL8858398 0.74 PTGIR (0.59) PTGIR
SCHEMBL8858528 0.73 PTGIR (0.61) PTGIRPTGDR
SCHEMBL8858408 0.73 PTGIR (0.63) PTGIR
SCHEMBL8414260 0.73 PTGIR (0.65) PTGIRPTGDR
SCHEMBL7778591 0.73 PTGIR (0.66) PTGIR

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-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP 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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 PTGIR 30/4885PTGDR 21/4885

“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.