SCHEMBL987832

SCHEMBL987832

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc(C(F)(F)F)cc2ccn(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.49
PTGER4 P35408 6/20 0.47
PTGDR Q13258 4/20 0.47
CYP3A5 P20815 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
TBXA2R P21731 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
VCP P55072 1/20 0.38
MMP12 P39900 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL12584009 0.91 CCR2 (0.47) CCR2PTGER4PTGDRCYP3A5KCNH2
SCHEMBL12585483 0.89 PTGER4 (0.45) CCR2PTGER4PTGDRVCPMMP12
SCHEMBL12948746 0.89 PTGER4 (0.45) CCR2PTGER4PTGDRKCNH2CACNA1I
SCHEMBL12585950 0.88 PTGER4 (0.42) CCR2PTGER4PTGDRCYP3A5CNR2
SCHEMBL988831 0.87 VCP (0.43) CCR2PTGER4PTGDRKCNH2CACNA1I
SCHEMBL987833 0.87 CCR2 (0.47) CCR2PTGER4PTGDRCYP3A5KCNH2
SCHEMBL988090 0.87 PTGER4 (0.41) CCR2PTGER4PTGDRCYP3A5KCNH2
SCHEMBL12585911 0.86 PTGER4 (0.43) CCR2PTGER4PTGDRCYP3A5KCNH2
SCHEMBL12585935 0.85 PTGER4 (0.43) CCR2PTGER4PTGDRCYP3A5TBXA2R
SCHEMBL12585974 0.85 PTGER4 (0.43) CCR2PTGER4PTGDRCYP3A5MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 CCR2 385/4885PTGER4 1/4885PTGDR 13/4885

“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.