SCHEMBL17870942

SCHEMBL17870942

CCN1C(=O)OCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.46
LMNA P02545 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
IDH1 O75874 5/20 0.44
SCD5 Q86SK9 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL266818 1.00 GLS (0.46) GLSLMNAADORA3IDH1SCD5
SCHEMBL12333636 1.00 GLS (0.46) GLSLMNAADORA3IDH1SCD5
SCHEMBL14665075 0.87 GLS (0.44) GLSLMNAIDH1SCD5NPC1
SCHEMBL14665079 0.87 GLS (0.44) GLSLMNAIDH1SCD5NPC1
SCHEMBL8138150 0.83 HDAC1 (0.44) GLSLMNAIDH1SCD5NPC1
SCHEMBL6948748 0.83 GLS (0.42) GLSLMNAIDH1SCD5NPC1
SCHEMBL14665118 0.83 GLS (0.49) GLSLMNASCD5NPC1TP53
SCHEMBL14665137 0.83 GLS (0.49) GLSLMNASCD5NPC1TP53
SCHEMBL6433693 0.83 POLB (0.42) GLSSCD5NPSR1
SCHEMBL15743835 0.83 GLS (0.49) GLSLMNASCD5NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478438-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2022-10-25 US disclosed
US-20220127233-A1 SUBSTITUTED QUINOLINYLCYCLOHEXYLPROPANAMIDE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION BRISTOL MYERS SQUIBB CO (US) 2022-04-28 US disclosed
US-11236048-B2 Substituted quinolinylcyclohexylpropanamide compounds and improved methods for their preparation BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-01 US disclosed
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-20200123109-A1 SUBSTITUTED QUINOLINYLCYCLOHEXYLPROPANAMIDE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION BRISTOL-MYERS SQUIBB COMPANY 2020-04-23 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 US disclosed
EP-3224245-B1 NECROSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2018-09-12 EP disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
EP-3224245-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 EP disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 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 (8 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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 GLS 1766/4885LMNA 2712/4885ADORA3 4190/4885
US-11478438-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 GLS 2215/4885LMNA 2442/4885ADORA3 3598/4885
US-11236048-B2 Substituted quinolinylcyclohexylpropanamide compounds and improved methods for their preparation QARS1, BCHE, NQO2 GLS 188/4885LMNA 482/4885ADORA3 2301/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 GLS 2215/4885LMNA 2442/4885ADORA3 3598/4885
US-20200123109-A1 SUBSTITUTED QUINOLINYLCYCLOHEXYLPROPANAMIDE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION QARS1, BCHE, NQO2 GLS 188/4885LMNA 482/4885ADORA3 2301/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 GLS 1766/4885LMNA 2712/4885ADORA3 4190/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 GLS 2215/4885LMNA 2442/4885ADORA3 3598/4885
US-20220127233-A1 SUBSTITUTED QUINOLINYLCYCLOHEXYLPROPANAMIDE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION QARS1, BCHE, NQO2 GLS 188/4885LMNA 482/4885ADORA3 2301/4885

“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.