SCHEMBL5212415

SCHEMBL5212415

CN(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C1CCc2c(OCC(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.46
PTGDR Q13258 9/20 0.46
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
AGTR1 P30556 1/20 0.46
PDE4D Q08499 1/20 0.46
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
ACHE P22303 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL5210960 0.92 ACHE (0.41) PTGIRPTGDRNR1I2ADORA3DRD1
SCHEMBL5217715 0.87 CKS1B (0.43) PTGIRPTGDRNR1I2ADORA3DRD1
SCHEMBL5211053 0.82 CKS1B (0.48) PTGIRPTGDRNR1I2ADORA3DRD1
SCHEMBL7485192 0.81 PTGIR (0.48) PTGIRPTGDRACHEPTGDR2
SCHEMBL5214583 0.78 PTGIR (0.57) PTGIRPTGDR
SCHEMBL7496987 0.76 NR4A2 (0.49) PTGIRPTGDRTBXA2R
SCHEMBL7497865 0.73 PTGIR (0.46) PTGIRPTGDRTBXA2R
SCHEMBL7495137 0.73 PTGIR (0.46) PTGIRPTGDRTBXA2R
SCHEMBL7498928 0.73 PTGIR (0.45) PTGIRTBXA2R
SCHEMBL7494420 0.73 PTGIR (0.45) PTGIRACHE

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 21/4885NR1I2 8/4885

“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.