SCHEMBL8187989

SCHEMBL8187989

CCOC(=O)N1C2CCC1c1cc(C(=O)OC)c(=O)oc1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
GPR65 Q8IYL9 1/20 0.36
MAOB P27338 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CA4 P22748 1/20 0.35
MAOA P21397 3/20 0.35
CHRM1 P11229 2/20 0.34
MIF P14174 2/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL20439756 0.90 MAOB (0.35) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL2060555 0.75 SIRT6 (0.40) ALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL2060564 0.71 CHRM1 (0.43) ALDH1A1CHRM1
SCHEMBL2061665 0.71 GPR65 (0.38) ATMGPR65KDM4EALDH1A1HPGD
SCHEMBL2060825 0.68 MAPT (0.39) GPR65KDM4EALDH1A1HPGD
SCHEMBL884784 0.67 CHRM1 (0.42) ALDH1A1CHRM1
SCHEMBL20425643 0.67 OPRM1 (0.40) ALDH1A1CHRM1AKR1C3AKR1C2
SCHEMBL2062840 0.67 GRM5 (0.37) GAAMAOACHRM1AKR1C3AKR1C2
SCHEMBL11368483 0.67 GPR65 (0.34) GPR65KDM4EALDH1A1HPGDGAA
SCHEMBL8187218 0.67 MEN1 (0.41) ATMMAOBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048884-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2022-02-17 US disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 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 (3 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ATM 1102/4885GPR65 1409/4885MAOB 2123/4885
US-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 ATM 1449/4885GPR65 1285/4885MAOB 1531/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ATM 1102/4885GPR65 1409/4885MAOB 2123/4885

“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.