SCHEMBL987914

SCHEMBL987914

COC(=O)[C@H]1CC[C@H](CNC(=O)c2c(Cl)c(Br)cc3ccn(Cc4cc5ccccc5cn4)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
DRD2 P14416 3/20 0.36
DRD4 P21917 2/20 0.36
USP30 Q70CQ3 1/20 0.34
HTR4 Q13639 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 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
SCHEMBL987915 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14735461 0.92 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12585960 0.92 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12585114 0.89 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12584999 0.88 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12585090 0.88 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12584423 0.85 DRD2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12584885 0.85 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12584911 0.83 DRD2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12585134 0.83 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2

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 7 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 disclosed
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US 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
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO 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 HDAC3 242/4885HDAC4 153/4885HDAC1 548/4885

“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.