SCHEMBL987980

SCHEMBL987980

CC(=O)OC1CCC(CNC(=O)c2c(Cl)ccc3ccn(Cc4cc5ccccc5cn4)c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
USP30 Q70CQ3 1/20 0.35
PAK1 Q13153 2/20 0.35
HTR4 Q13639 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DKK1 O94907 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL16143680 0.89 P2RX7 (0.35) P2RX7USP30PAK1HTR4DRD2
SCHEMBL12584999 0.88 HDAC3 (0.37) P2RX7USP30PAK1HTR4DRD2
SCHEMBL12585961 0.87 VCP (0.40) P2RX7USP30PAK1DRD2DRD4
SCHEMBL987979 0.84 P2RX7 (0.39) P2RX7USP30HTR4DRD2DRD4
SCHEMBL987405 0.80 AR (0.37) USP30DRD2DRD4HDAC3HDAC4
SCHEMBL12584885 0.79 HDAC3 (0.37) USP30HTR4DRD2DRD4HDAC3
SCHEMBL987403 0.78 VCP (0.39) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL987915 0.77 HDAC3 (0.38) USP30HTR4DRD2DRD4HDAC3
SCHEMBL12585134 0.77 HDAC3 (0.36) P2RX7USP30DRD2DRD4HDAC3
SCHEMBL987914 0.77 HDAC3 (0.38) USP30HTR4DRD2DRD4HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 P2RX7 201/4885USP30 4372/4885PAK1 1901/4885

“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.