SCHEMBL665372

SCHEMBL665372

CCC(C(=O)N(C)C)c1coc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
PSMB5 P28074 4/20 0.41
KMT2A Q03164 1/20 0.39
PSMB8 P28062 2/20 0.39
CYP2C19 P33261 1/20 0.36
CMA1 P23946 1/20 0.36
CA2 P00918 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAOA P21397 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
SCHEMBL4139411 0.83 MAOB (0.45) MAOBPSMB5KMT2APSMB8HSD17B2
SCHEMBL23627355 0.73 MAOB (0.43) MAOBPSMB5PSMB8CA2HSD17B2
SCHEMBL4146586 0.73 MAOB (0.44) MAOBPSMB5PSMB8CA2HSD17B2
SCHEMBL5240004 0.73 LMNA (0.44) MAOBPSMB5PSMB8CMA1CA2
SCHEMBL24723275 0.72 GPR84 (0.56) KMT2A
SCHEMBL3244642 0.71 MAOB (0.53) MAOBPSMB5KMT2AMAOA
SCHEMBL2416801 0.71 LMNA (0.53) KMT2A
SCHEMBL14270019 0.71 TSHR (0.47) MAOBPSMB5PSMB8CA2HSD17B2
SCHEMBL12911153 0.71 PSMB5 (0.46) MAOBPSMB5PSMB8CMA1CA2
SCHEMBL669128 0.70 NQO1 (0.43) MAOB

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 1595/4885PSMB5 2395/4885KMT2A 2953/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885PSMB5 2723/4885KMT2A 4200/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAOB 1595/4885PSMB5 2395/4885KMT2A 2953/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885PSMB5 2723/4885KMT2A 4200/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 MAOB 1341/4885PSMB5 3398/4885KMT2A 3764/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAOB 1595/4885PSMB5 2395/4885KMT2A 2953/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885PSMB5 2723/4885KMT2A 4200/4885

“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.