SCHEMBL17457575

SCHEMBL17457575

CC(CN(C)Cc1n[nH]c2ccc(OC3CCOC3)cc12)OC(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.38
▸ MAPK1 P28482 7/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ ACACB O00763 4/20 0.34
▸ SOS1 Q07889 1/20 0.34

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
SCHEMBL17457579 0.95 GSK3B (0.37) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL17457577 0.85 LRRK2 (0.38) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL17457580 0.80 GSK3B (0.35) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL16102326 0.78 LRRK2 (0.40) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL16102325 0.77 LRRK2 (0.39) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL16120036 0.77 LRRK2 (0.44) LRRK2MAPK1NTRK1SOS1
SCHEMBL16100558 0.77 LRRK2 (0.41) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL16099650 0.73 LRRK2 (0.36) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL16100245 0.71 LRRK2 (0.38) LRRK2MAPK1GSK3BKCNH2NTRK1
SCHEMBL16120042 0.71 LRRK2 (0.41) LRRK2GSK3BKCNH2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — 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 (1 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 972/4885MAPK1 2610/4885GSK3B 1024/4885

“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.

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