SCHEMBL13744978

SCHEMBL13744978

CN(Cc1ccccc1)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.55
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
SLC18A3 Q16572 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ACHE P22303 1/20 0.44
NAAA Q02083 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
AOC3 Q16853 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL14506713 1.00 GRIN2B (0.55) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL12680890 1.00 GRIN2B (0.55) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL3375289 0.92 GRIN2B (0.61) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL24158294 0.88 HRH3 (0.65) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL11251947 0.86 HRH3 (0.67) GRIN2BHRH4HRH3SLC18A3ALDH1A1
Bromide SCHEMBL11253051 0.85 HRH3 (0.65) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL531089 0.85 HRH3 (0.70) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL16367134 0.84 GRIN2B (0.54) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL16607846 0.84 GRIN2B (0.54) GRIN2BHRH4HRH3SLC18A3ALDH1A1
SCHEMBL19195002 0.84 GRIN2B (0.54) GRIN2BHRH4HRH3SLC18A3ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 US disclosed
EP-2935214-B1 1,4-PYRIDONE COMPOUNDS EPIZYME INC (US) 2019-02-20 EP disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-05-17 US disclosed
US-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-05-17 US disclosed
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 US disclosed
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 US disclosed
EP-2935264-B1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2017-10-18 EP disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 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-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150344427-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2015-12-03 US disclosed
US-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2015-12-03 US disclosed
US-20150344427-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 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 (10 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 GRIN2B 3155/4885HRH4 477/4885HRH3 973/4885
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 GRIN2B 4219/4885HRH4 828/4885HRH3 1577/4885
US-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 GRIN2B 3155/4885HRH4 477/4885HRH3 973/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 GRIN2B 4275/4885HRH4 992/4885HRH3 1541/4885
US-20150344427-A1 1,4-PYRIDONE COMPOUNDS PDXK, PNPO, PLPBP GRIN2B 3684/4885HRH4 554/4885HRH3 1110/4885
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 GRIN2B 3371/4885HRH4 517/4885HRH3 1183/4885
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS GRIN2B 3371/4885HRH4 517/4885HRH3 1183/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 GRIN2B 3229/4885HRH4 650/4885HRH3 689/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR GRIN2B 4121/4885HRH4 320/4885HRH3 709/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 GRIN2B 4219/4885HRH4 828/4885HRH3 1577/4885

“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.