SCHEMBL16136368

SCHEMBL16136368

CC(=O)NCc1nccn1C(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.48
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 2/20 0.43
OPRM1 P35372 1/20 0.43
BRD4 O60885 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL16133639 0.86 MAPT (0.46) FPR2OPRD1OPRK1OPRM1BRD4
SCHEMBL16136347 0.81 FPR2 (0.49) FPR2MTNR1AKDM4ERXFP1CYP1A2
SCHEMBL3763386 0.78 MEN1 (0.45) OPRD1OPRK1OPRM1BRD4ALDH1A1
SCHEMBL20508884 0.78 MEN1 (0.45) OPRD1OPRK1OPRM1BRD4ALDH1A1
SCHEMBL16136363 0.74 LMNA (0.51) ALDH1A1LMNA
SCHEMBL28705125 0.74 ALDH1A1 (0.51) OPRD1OPRK1OPRM1BRD4ALDH1A1
SCHEMBL28780266 0.71 ALDH1A1 (0.47) OPRD1OPRK1OPRM1BRD4ALDH1A1
SCHEMBL27762347 0.71 ALDH1A1 (0.47) OPRD1OPRK1OPRM1BRD4ALDH1A1
SCHEMBL3396713 0.71 OPRK1 (0.46) FPR2MTNR1AOPRK1MAPK1LMNA
SCHEMBL28292973 0.71 OPRD1 (0.43) OPRD1OPRK1OPRM1BRD4ALDH1A1

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-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 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 (4 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 FPR2 615/4885MTNR1A 2478/4885MTNR1B 2110/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 FPR2 615/4885MTNR1A 2478/4885MTNR1B 2110/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 FPR2 615/4885MTNR1A 2478/4885MTNR1B 2110/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 FPR2 615/4885MTNR1A 2478/4885MTNR1B 2110/4885

“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.