SCHEMBL16136286

SCHEMBL16136286

CC[C@H]1CC[C@H](N(C)CCOC)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PIK3CD O00329 1/20 0.31
PDE7A Q13946 1/20 0.31
CCNT1 O60563 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL19390626 1.00 CYP2D6 (0.32) CYP2D6HRH1KCNH2KDM4EPIK3CD
SCHEMBL16136218 1.00 CYP2D6 (0.32) CYP2D6HRH1KCNH2KDM4EPIK3CD
SCHEMBL3436793 0.88
Hydrochloric Acid SCHEMBL4349290 0.86 PIK3CD (0.37) CYP2D6HRH1KCNH2KDM4EPIK3CD
SCHEMBL20160904 0.84 KDM4E (0.37) CYP2D6HRH1KCNH2KDM4EPIK3CD
SCHEMBL24429539 0.82 SLC6A2 (0.35) KCNH2PIK3CD
SCHEMBL20160908 0.82 PIK3CD (0.34) CYP2D6HRH1KCNH2KDM4EPIK3CD
SCHEMBL3436790 0.81 PIK3CD (0.37) CYP2D6HRH1KCNH2PIK3CDPDE7A
SCHEMBL19413248 0.80 PIK3CD (0.40) CYP2D6HRH1KCNH2PIK3CDCCNT1
SCHEMBL20749665 0.80

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
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
EP-2935214-B1 1,4-PYRIDONE COMPOUNDS EPIZYME INC (US) 2019-02-20 EP disclosed
EP-2935264-B1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2017-10-18 EP disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 EP disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 US disclosed
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2015-12-03 US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 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 (5 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-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 CYP2D6 25/4885HRH1 1072/4885KCNH2 2354/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 CYP2D6 10/4885HRH1 1139/4885KCNH2 1446/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 CYP2D6 8/4885HRH1 2066/4885KCNH2 2979/4885
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS CYP2D6 4/4885HRH1 1579/4885KCNH2 3031/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR CYP2D6 7/4885HRH1 732/4885KCNH2 1196/4885

“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.