SCHEMBL665371

SCHEMBL665371

CCC(C)(C(=O)NC)c1coc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.41
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
DRD3 P35462 3/20 0.38
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
CA2 P00918 1/20 0.37
MAPT P10636 2/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2B P29275 1/20 0.35
PTGS2 P35354 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
SCHEMBL4146582 0.84 MAOB (0.43) MAOBPSMB8PSMB5CA2RIPK1
SCHEMBL9764869 0.75 MAOB (0.37) MAOBPSMB8PSMB5CA2MAPT
SCHEMBL14926310 0.71 HDAC1 (0.47) MAPTRIPK1KDM4EL3MBTL1
SCHEMBL26247195 0.70 CA2 (0.40) MAOBDRD2CA2MAPTPTGS2
SCHEMBL11963733 0.70 PLK1 (0.42) MAPTRIPK1KDM4E
SCHEMBL2607820 0.69 MAOB (0.40) MAOBCA2KDM4EPTGS2
SCHEMBL9764908 0.69 MAOB (0.39) MAOBCA2MAPTADORA2B
SCHEMBL9764872 0.69 MAOB (0.39) MAOBDRD2HTR2ADRD3PSMB8
SCHEMBL9764903 0.69 MAOB (0.42) MAOBDRD2HTR2ADRD3PSMB8
SCHEMBL9764896 0.68 MAOB (0.38) MAOBCA2MAPTADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 MAOB 1595/4885DRD2 2429/4885HTR2A 2938/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885DRD2 2791/4885HTR2A 110/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAOB 1595/4885DRD2 2429/4885HTR2A 2938/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885DRD2 2791/4885HTR2A 110/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 MAOB 1341/4885DRD2 2269/4885HTR2A 429/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAOB 1595/4885DRD2 2429/4885HTR2A 2938/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885DRD2 2791/4885HTR2A 110/4885

“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.