Sugi Predict

Sugi Predict / Compounds / SCHEMBL987416

SCHEMBL987416

SCHEMBL987416

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cccc2ccn(Cc3cc4ccccc4s3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.41
▸ S1PR5 Q9H228 2/20 0.39
▸ FAAH O00519 2/20 0.38
▸ S1PR4 O95977 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL28795038 1.00 NPY5R (0.41) NPY5RS1PR5FAAHS1PR4NPC1
SCHEMBL13619264 0.91 DRD2 (0.39) NPY5RFAAHNPC1HDAC3HDAC4
SCHEMBL12584691 0.88 DRD2 (0.40) NPY5RFAAHNPC1CHRM1DRD2
SCHEMBL2031203 0.86 CXCR6 (0.36) NPY5RFAAHNPC1CHRM1DRD2
SCHEMBL987404 0.83 KDM4E (0.39) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12585565 0.81 HDAC3 (0.45) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL12585255 0.81 PTGER4 (0.44) CHRM1DRD2DRD4VCP
SCHEMBL12585611 0.81 PTGER4 (0.44) CHRM1DRD2DRD4VCP
SCHEMBL12900496 0.81 PTGER4 (0.44) CHRM1DRD2DRD4VCP
SCHEMBL12585670 0.80 NPC1 (0.39) NPC1HDAC3HDAC4HDAC1HDAC7

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 9 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
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
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 — — EP 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 NPY5R 341/4885S1PR5 323/4885FAAH 133/4885

“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.