SCHEMBL988090

SCHEMBL988090

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc(C(F)(F)F)cc2ccn(Cc3cc4cc(Cl)ccc4o3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.41
PTGDR Q13258 2/20 0.40
CCR2 P41597 4/20 0.39
CYP3A5 P20815 1/20 0.38
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
CNR2 P34972 9/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
MMP12 P39900 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12584952 0.92 CCR2 (0.38) PTGER4PTGDRCCR2CYP3A5KCNH2
SCHEMBL987689 0.90 PTGER4 (0.40) PTGER4PTGDRCYP3A5MMP12
SCHEMBL987832 0.87 CCR2 (0.49) PTGER4PTGDRCCR2CYP3A5KCNH2
SCHEMBL988181 0.84 VCP (0.38) PTGER4PTGDRCNR2
SCHEMBL12585950 0.83 PTGER4 (0.42) PTGER4PTGDRCCR2CYP3A5CNR2
SCHEMBL12584947 0.82 KDM4E (0.43) PTGER4PTGDRCYP3A5CYP2C9CYP1A2
SCHEMBL12584927 0.81 RAB9A (0.40) PTGER4CCR2CYP3A5KCNH2CACNA1I
Bicarbonate SCHEMBL16143667 0.81 NPC1 (0.43) PTGER4PTGDRCYP3A5CNR2CYP3A4
SCHEMBL12585911 0.80 PTGER4 (0.43) PTGER4PTGDRCCR2CYP3A5KCNH2
SCHEMBL12584009 0.79 CCR2 (0.47) PTGER4PTGDRCCR2CYP3A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565191-B1 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) 2014-10-08 EP claimed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US claimed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP claimed
EP-2565191-B1 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) 2014-10-08 EP 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

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 PTGER4 1/4885PTGDR 13/4885CCR2 385/4885

“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.