SCHEMBL988520

SCHEMBL988520

O=COC1CCC(CNC(=O)c2cc(F)cc3ccn(Cc4cc5ccccc5cn4)c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
AR P10275 3/20 0.36
P2RX3 P56373 1/20 0.34
GRIN2B Q13224 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
HTR4 Q13639 1/20 0.33
ADORA2A P29274 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
AURKA O14965 1/20 0.33
LCK P06239 1/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
AURKB Q96GD4 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
SCHEMBL986580 0.93 DRD2 (0.37) USP30NPC1DRD2DRD4AR
SCHEMBL988294 0.92 DRD2 (0.37) USP30NPC1DRD2DRD4P2RX3
SCHEMBL987770 0.91 CYP3A5 (0.36) USP30NPC1DRD2DRD4
SCHEMBL988519 0.88 VCP (0.39) USP30NPC1DRD2DRD4GRIN2B
SCHEMBL988189 0.87 AR (0.37) NPC1DRD2DRD4ARACACB
SCHEMBL12584912 0.87 DRD2 (0.39) USP30NPC1DRD2DRD4P2RX3
Bicarbonate SCHEMBL16143737 0.87 NPC1 (0.47) USP30NPC1DRD2DRD4ADORA2A
SCHEMBL987405 0.86 AR (0.37) USP30NPC1DRD2DRD4AR
SCHEMBL16143680 0.84 P2RX7 (0.35) USP30DRD2DRD4P2RX3HTR4
SCHEMBL987962 0.80 HCRTR1 (0.40) DRD2DRD4ARACACBACACA

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 10 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-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 USP30 4372/4885NPC1 2978/4885DRD2 954/4885

“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.