SCHEMBL17870932

SCHEMBL17870932

C#CCN1C(=O)C[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
RIPK1 Q13546 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
BRD4 O60885 3/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL19471071 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9826474 0.78 ATM (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26054018 0.78 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL17870940 0.77 RIPK1 (0.53) RIPK1SIGMAR1BRD4TSHRKMT2A
SCHEMBL30054156 0.77 RIPK1 (0.53) RIPK1SIGMAR1BRD4TSHRKMT2A
SCHEMBL17870941 0.77 RIPK1 (0.53) RIPK1SIGMAR1BRD4TSHRKMT2A
SCHEMBL19471088 0.76 IDH1 (0.42) HPGD
SCHEMBL17870955 0.76 IDH1 (0.42) HPGD
SCHEMBL19471162 0.75 RIPK1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17870947 0.75 RIPK1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3

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 18 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-11090307-B2 Treating male senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-17 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-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-20200046714-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-13 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 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-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
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US 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
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 (7 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 CHRM2 4821/4885CHRM4 4786/4885CHRM5 4865/4885
US-11478438-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 CHRM2 4725/4885CHRM4 4670/4885CHRM5 4786/4885
US-11090307-B2 Treating male senescence RIPK3, RIPK1, MLKL CHRM2 4159/4885CHRM4 4059/4885CHRM5 4207/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL CHRM2 4159/4885CHRM4 4059/4885CHRM5 4207/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 CHRM2 4725/4885CHRM4 4670/4885CHRM5 4786/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 CHRM2 4821/4885CHRM4 4786/4885CHRM5 4865/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 CHRM2 4725/4885CHRM4 4670/4885CHRM5 4786/4885

“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.