SCHEMBL988096

SCHEMBL988096

COC(=O)c1cccc2ccn(Cc3ccc(C#N)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 3/20 0.52
HSP90AA1 P07900 1/20 0.43
HSP90B1 P14625 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
AR P10275 1/20 0.43
APP P05067 2/20 0.42
PTGER4 P35408 5/20 0.42
PTGDR Q13258 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGER2 P43116 2/20 0.39

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 0.85 PTGER4 (0.48) HSP90AA1HSP90B1KDM4ESMN1; SMN2HSD17B10
SCHEMBL22393055 0.85 APP (0.48) CYP11B1CYP11B2KDM4EHSD17B10POLB
SCHEMBL30697449 0.85 APP (0.48) CYP11B1CYP11B2KDM4EHSD17B10POLB
SCHEMBL10019032 0.85 PTGER4 (0.49) KDM4ESMN1; SMN2POLBAPPPTGER4
SCHEMBL989499 0.84 PTGER4 (0.44) CYP11B1CYP11B2HSP90AA1HSP90B1KDM4E
SCHEMBL28716996 0.84 PTGER4 (0.42) KDM4EPOLBAPPPTGER4PTGDR
SCHEMBL987514 0.83 PTGER4 (0.46) POLBAPPPTGER4PTGDRPTGER2
SCHEMBL22894727 0.82 APP (0.43) CYP11B1CYP11B2POLBAPPPTGER4
SCHEMBL12584167 0.82 PTGER4 (0.43) POLBTSHRPTGER4PTGDRLMNA
SCHEMBL2111692 0.81 PTGER4 (0.61) KDM4ESMN1; SMN2PTGER4PTGDRALDH1A1

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 CYP11B1 3162/4885CYP11B2 2632/4885HSP90AA1 4499/4885

“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.