SCHEMBL987576

SCHEMBL987576

O=COC1CCC(CNC(=O)c2cc(Cl)cc3ccn(CCOc4ccc(Cl)cc4)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
KCNH2 Q12809 4/20 0.37
IL1B P01584 1/20 0.37
P2RX7 Q99572 1/20 0.37
F10 P00742 1/20 0.37
HTR7 P34969 2/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX3 P56373 1/20 0.35
CNR2 P34972 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL27837535 0.87 POLB (0.42) MCL1KCNH2P2RX7F10HTR7
SCHEMBL987574 0.87 POLB (0.42) MCL1KCNH2P2RX7F10HTR7
SCHEMBL12584706 0.85 L3MBTL1 (0.43) MCL1KCNH2P2RX7F10HTR7
SCHEMBL988294 0.81 DRD2 (0.37) P2RX3CNR2CHRM2CHRM4CHRM5
SCHEMBL988833 0.81 KCNH2 (0.41) KCNH2ALDH1A1P2RX3CNR2CHRM1
SCHEMBL987833 0.79 CCR2 (0.47) KCNH2P2RX3CNR2
SCHEMBL988182 0.79 HTR4 (0.35) ALDH1A1CNR2L3MBTL1CHRM2CHRM4
SCHEMBL987469 0.78 ACACB (0.38) HTR7CNR2CHRM2CHRM4CHRM5
SCHEMBL985985 0.76 KLK1 (0.43) CHRM1
SCHEMBL12583959 0.74 MCL1 (0.54) MCL1ALDH1A1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US claimed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP claimed
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 MCL1 4797/4885KCNH2 3210/4885IL1B 4310/4885

“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.