SCHEMBL987690

SCHEMBL987690

O=COC1CCC(CNC(=O)c2cc(C(F)(F)F)cc3ccn(Cc4cc5ccccc5o4)c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A5 P20815 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCR2 P41597 1/20 0.33
CNR2 P34972 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
NPC1 O15118 1/20 0.33
MAOB P27338 2/20 0.33
SLC6A4 P31645 2/20 0.33
MAPK1 P28482 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGDR Q13258 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL988182 0.89 HTR4 (0.35) KDM4EALDH1A1RAB9ACNR2DRD2
SCHEMBL987406 0.89 KDM4E (0.36) KDM4EALDH1A1RAB9ACNR2DRD2
SCHEMBL987689 0.88 PTGER4 (0.40) KDM4EALDH1A1RAB9ACYP3A5NFKB1
SCHEMBL12584927 0.88 RAB9A (0.40) KDM4EALDH1A1RAB9ACYP3A5NFKB1
Bicarbonate SCHEMBL16143667 0.87 NPC1 (0.43) KDM4EALDH1A1RAB9ACYP3A5NFKB1
SCHEMBL987770 0.84 CYP3A5 (0.36) CYP3A5CNR2DRD2DRD4NPC1
SCHEMBL987756 0.84 ACACB (0.35) CYP3A5
SCHEMBL987833 0.83 CCR2 (0.47) CYP3A5CCR2CNR2PTGER4PTGDR
SCHEMBL988225 0.82 DRD2 (0.42) DRD2SMN1; SMN2
SCHEMBL988567 0.81 PDPK1 (0.37) CYP3A5CNR2KCNH2

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
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US claimed
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 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
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
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 KDM4E 959/4885ALDH1A1 3089/4885RAB9A 3160/4885

“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.