SCHEMBL987770

SCHEMBL987770

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A5 P20815 1/20 0.36
CNR2 P34972 5/20 0.36
USP30 Q70CQ3 1/20 0.34
GLS O94925 1/20 0.34
NPC1 O15118 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MCHR1 Q99705 4/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
RORC P51449 2/20 0.33
CYP2D6 P10635 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
PDPK1 O15530 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
SCHEMBL988520 0.91 USP30 (0.36) USP30NPC1DRD2DRD4
SCHEMBL986580 0.90 DRD2 (0.37) USP30NPC1DRD2DRD4
SCHEMBL988294 0.89 DRD2 (0.37) CNR2USP30NPC1DRD2DRD4
SCHEMBL988567 0.89 PDPK1 (0.37) CYP3A5CNR2USP30GLSMCHR1
SCHEMBL987768 0.88 PTGER4 (0.41) CYP3A5CNR2USP30GLSNPC1
SCHEMBL13619452 0.88 DRD2 (0.37) CYP3A5CNR2USP30GLSNPC1
SCHEMBL987756 0.88 ACACB (0.35) CYP3A5GLSMCHR1
Bicarbonate SCHEMBL16143669 0.88 NPC1 (0.44) CYP3A5CNR2USP30GLSNPC1
SCHEMBL988225 0.84 DRD2 (0.42) DRD2
SCHEMBL987690 0.84 KDM4E (0.35) CYP3A5CNR2NPC1DRD2DRD4

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 8 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
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
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 CYP3A5 2792/4885CNR2 11/4885USP30 4372/4885

“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.