SCHEMBL989499

SCHEMBL989499

COC(=O)c1cccc2ccn(Cc3ccc(Br)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.44
PTGDR Q13258 4/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CNR2 P34972 1/20 0.42
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC9 Q9UKV0 2/20 0.41
PTGER2 P43116 2/20 0.41
PTGER3 P43115 2/20 0.41
TBXA2R P21731 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGFR P43088 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
CYP11B1 P15538 1/20 0.40

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
SCHEMBL1271452 0.89 PTGER4 (0.48) PTGER4PTGDRSLC6A3CNR2PTGER2
SCHEMBL10019032 0.88 PTGER4 (0.49) PTGER4PTGDRKMT2APTGER2PTGER3
SCHEMBL987514 0.86 PTGER4 (0.46) PTGER4PTGDRSLC6A3HDAC8HDAC6
SCHEMBL28716996 0.85 PTGER4 (0.42) PTGER4PTGDRHDAC8HDAC6HDAC1
SCHEMBL29406596 0.84 PTGER4 (0.61) PTGER4PTGDRPTGER2PTGER3TBXA2R
SCHEMBL988096 0.84 CYP11B1 (0.52) PTGER4PTGDRHTTKMT2APTGER2
SCHEMBL10086127 0.84 MAPK8 (0.43) PTGER4PTGDRPTGER2PTGER3TBXA2R
SCHEMBL2111692 0.84 PTGER4 (0.61) PTGER4PTGDRPTGER2PTGER3TBXA2R
SCHEMBL1137560 0.84 PTGER4 (0.47) PTGER4PTGDRKMT2ASLC6A3HDAC8
SCHEMBL21481817 0.83 PTGER4 (0.52) PTGER4PTGDRPTGER2PTGER3TBXA2R

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
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
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
CN-102026961-A Amide compound ASTELLAS PHARMA INC 2011-04-20 CN 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 PTGER4 1/4885PTGDR 13/4885HTT 4662/4885

“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.