SCHEMBL987362

SCHEMBL987362

COC(=O)c1cccc(OCc2ccc(Cl)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.52
P2RX3 P56373 5/20 0.48
PTGER1 P34995 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
IDH1 O75874 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL16108509 0.87 LMNA (0.50) PTGER1MAPTPKM
SCHEMBL12584123 0.85 PTGER1 (0.64) MRGPRX4P2RX3PTGER1TDP1KDM4E
SCHEMBL15053882 0.82 MRGPRX4 (0.54) MRGPRX4PTGER1MAPTKMT2AIDH1
SCHEMBL12584143 0.81 PTGER4 (0.47) PTGER1NPC1RAB9AMAPTPKM
SCHEMBL23293648 0.80 SMN1; SMN2 (0.50) P2RX3NPC1RAB9AKMT2A
SCHEMBL23582166 0.78 L3MBTL1 (0.55) NPC1RAB9AMAPTKMT2APKM
SCHEMBL18254259 0.78 MAPK8 (0.56) MRGPRX4NPC1RAB9AMAPTKDM4E
SCHEMBL25802196 0.78 MRGPRX4 (0.57) MRGPRX4P2RX3PTGER1NPC1RAB9A
SCHEMBL27946243 0.77 MAPT (0.49) MRGPRX4NPC1RAB9AMAPTKDM4E
SCHEMBL13064467 0.77 IDH1 (0.60) MRGPRX4NPC1RAB9AMAPTKDM4E

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
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 MRGPRX4 143/4885P2RX3 162/4885PTGER1 2/4885

“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.