SCHEMBL17792540

SCHEMBL17792540

CC(=O)NCc1c(CN2CCOCC2)n(C)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TYMP P19971 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL17792575 0.88 KDM4E (0.36) MTNR1BALDH1A1
SCHEMBL17789036 0.87 CNR2 (0.39) DAO
SCHEMBL17792512 0.78 DAO (0.47) DAOALDH1A1KMT2AEZH2
SCHEMBL17792491 0.77 CYP1A2 (0.33) KMT2A
SCHEMBL19390860 0.75 EZH2 (0.41) ALDH1A1TSHRKCNH2EZH2
SCHEMBL18743918 0.74 MAPT (0.33) ALDH1A1KMT2A
SCHEMBL17792544 0.69 ALDH1A1 (0.36) ALDH1A1KMT2AEZH2
SCHEMBL17792545 0.69 ALDH1A1 (0.39) ALDH1A1KMT2AEZH2
Hydrochloric Acid SCHEMBL7991650 0.68 ALDH1A1 (0.64) ALDH1A1TSHRKMT2AKCNH2HRH3
SCHEMBL17792494 0.67 TP53 (0.33) MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 MTNR1B 1353/4885DAO 2882/4885ALDH1A1 552/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR MTNR1B 1072/4885DAO 2733/4885ALDH1A1 737/4885

“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