SCHEMBL988294

SCHEMBL988294

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
CNR2 P34972 5/20 0.36
P2RX3 P56373 1/20 0.36
USP30 Q70CQ3 1/20 0.35
NPC1 O15118 1/20 0.35
HTR4 Q13639 1/20 0.35
CHRM1 P11229 4/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CNR1 P21554 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
PTGER4 P35408 2/20 0.34
PTGDR Q13258 2/20 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
SCHEMBL988520 0.92 USP30 (0.36) DRD2DRD4P2RX3USP30NPC1
SCHEMBL986580 0.91 DRD2 (0.37) DRD2DRD4USP30NPC1HTR4
SCHEMBL987770 0.89 CYP3A5 (0.36) DRD2DRD4CNR2USP30NPC1
SCHEMBL987469 0.88 ACACB (0.38) DRD2DRD4CNR2HTR4CHRM1
SCHEMBL988293 0.87 VCP (0.40) DRD2DRD4CNR2USP30NPC1
SCHEMBL12584423 0.87 DRD2 (0.41) DRD2DRD4CNR2P2RX3USP30
Bicarbonate SCHEMBL16143710 0.86 NPC1 (0.46) DRD2DRD4CNR2NPC1CNR1
SCHEMBL16143680 0.86 P2RX7 (0.35) DRD2DRD4P2RX3USP30HTR4
SCHEMBL987405 0.85 AR (0.37) DRD2DRD4P2RX3USP30NPC1
SCHEMBL985985 0.84 KLK1 (0.43) DRD2DRD4USP30CHRM1

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 DRD2 954/4885DRD4 961/4885CNR2 11/4885

“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.