SCHEMBL17789055

SCHEMBL17789055

Cn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ DRD4 P21917 8/20 0.33
▸ DRD2 P14416 7/20 0.33
▸ SIGMAR1 Q99720 5/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL18743935 0.86 BRPF1 (0.30) BRPF1
SCHEMBL17792544 0.85 ALDH1A1 (0.36) BRPF1MAPTSMN1; SMN2MEN1GAA
SCHEMBL17792545 0.84 ALDH1A1 (0.39) BRPF1MAPTSMN1; SMN2MEN1GAA
SCHEMBL17789062 0.81 ALDH1A1 (0.35) BRPF1MAPTDRD4DRD2SMN1; SMN2
SCHEMBL17789034 0.80 DRD4 (0.32) BRPF1MAPTDRD4DRD2SIGMAR1
SCHEMBL18743918 0.79 MAPT (0.33) BRPF1MAPTDRD4DRD2SIGMAR1
SCHEMBL18743913 0.77 — —
SCHEMBL17789027 0.74 ALDH1A1 (0.37) MAPTDRD4DRD2L3MBTL1SMN1; SMN2
SCHEMBL17789037 0.73 DRD4 (0.34) DRD4DRD2SIGMAR1MEN1KMT2A
SCHEMBL17789036 0.72 CNR2 (0.39) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — 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

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-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 BRPF1 1830/4885MAPT 4252/4885DRD4 2065/4885
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 BRPF1 1830/4885MAPT 4252/4885DRD4 2065/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR BRPF1 324/4885MAPT 4625/4885DRD4 1319/4885

“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.

Send feedback