SCHEMBL987979

SCHEMBL987979

C[C@]1(C(=O)O)CC[C@H](CNC(=O)c2c(Cl)ccc3ccn(Cc4cc5ccccc5cn4)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.39
USP30 Q70CQ3 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
BCHE P06276 1/20 0.34
HTR4 Q13639 1/20 0.34
IL1B P01584 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
SCHEMBL12585961 0.87 VCP (0.40) P2RX7USP30LMNATP53DRD2
SCHEMBL12584999 0.85 HDAC3 (0.37) P2RX7USP30LMNATP53DRD2
SCHEMBL987980 0.84 P2RX7 (0.35) P2RX7USP30LMNATP53DRD2
SCHEMBL16143680 0.83 P2RX7 (0.35) P2RX7USP30LMNATP53DRD2
Bicarbonate SCHEMBL16143543 0.78 NPC1 (0.42) P2RX7USP30BCHE
SCHEMBL987403 0.78 VCP (0.39) USP30BCHE
SCHEMBL14735461 0.76 HDAC3 (0.39) USP30
SCHEMBL12585979 0.76 MMP12 (0.39) P2RX7USP30BCHE
SCHEMBL12584885 0.76 HDAC3 (0.37) USP30DRD2DRD4BCHEHTR4
SCHEMBL12585960 0.76 HDAC3 (0.39) USP30

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 4372/4885LMNA 4154/4885

“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.