SCHEMBL10229396

SCHEMBL10229396

CCOC(=O)N1C2CCC1c1cc(C(=O)OC)ccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
CHRM1 P11229 6/20 0.39
USP2 O75604 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20425561 0.88 TSHR (0.45) CHRM1DRD3TSHRCHRM4CHRM5
SCHEMBL2062840 0.82 GRM5 (0.37) CHRM1CHRM4CHRM5SMN1; SMN2GAA
SCHEMBL2061665 0.81 GPR65 (0.38) KDM4ECHRM1USP2ALDH1A1HPGD
SCHEMBL884784 0.80 CHRM1 (0.42) CHRM1ALDH1A1CHRM4CHRM5NPC1
SCHEMBL2060825 0.78 MAPT (0.39) KDM4EALDH1A1HPGDHTTGPR65
SCHEMBL20425573 0.77 GRM5 (0.36) CHRM1USP2CHRM4CHRM5SMN1; SMN2
SCHEMBL2060564 0.77 CHRM1 (0.43) CHRM1ALDH1A1CHRM4CHRM5SMN1; SMN2
SCHEMBL2060555 0.76 SIRT6 (0.40) ALDH1A1HPGDHTTHSP90AA1SMN1; SMN2
SCHEMBL8187989 0.73 ATM (0.37) KDM4ECHRM1USP2ALDH1A1HPGD
SCHEMBL2062328 0.72 KDM4E (0.43) KDM4EDRD3ALDH1A1HPGDHTT

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 14 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
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP 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-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 KDM4E 729/4885CHRM1 2262/4885USP2 3900/4885
US-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 KDM4E 3692/4885CHRM1 4486/4885USP2 2090/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET KDM4E 729/4885CHRM1 2262/4885USP2 3900/4885

“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.