SCHEMBL987406

SCHEMBL987406

O=COC1CCC(CNC(=O)c2cccc3ccn(Cc4cc5ccccc5o4)c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MAPK1 P28482 1/20 0.34
HTR4 Q13639 1/20 0.34
PREP P48147 1/20 0.33
MAOB P27338 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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 0.90 HTR4 (0.35) KDM4ERAB9AALDH1A1NPC1CHRM1
SCHEMBL987690 0.89 KDM4E (0.35) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12584603 0.86 DRD2 (0.40) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL987404 0.86 KDM4E (0.39) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12948849 0.85 RAB9A (0.44) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2031203 0.84 CXCR6 (0.36) KDM4EALDH1A1NPC1CHRM1DRD2
SCHEMBL12948733 0.77 KDM4E (0.39) KDM4ERAB9AALDH1A1NPC1CHRM1
SCHEMBL988181 0.76 VCP (0.38) KDM4ERAB9AALDH1A1NPC1CHRM1
SCHEMBL28484362 0.76 NPC1 (0.38) RAB9ANPC1DRD2DRD4MAPK1
SCHEMBL987689 0.76 PTGER4 (0.40) KDM4ERAB9AALDH1A1NPC1DRD2

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 5 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 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 959/4885RAB9A 3160/4885ALDH1A1 3089/4885

“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.