SCHEMBL16099650

SCHEMBL16099650

CN(CCN(C)C(=O)OC(C)(C)C)Cc1n[nH]c2ccc(OC3CCOCC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.36
▸ INSR P06213 2/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ ALK Q9UM73 2/20 0.36
▸ GSK3B P49841 4/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GPER1 Q99527 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL16102326 0.95 LRRK2 (0.40) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16120051 0.87 CYP4F2 (0.38) LRRK2GSK3BHRH3
SCHEMBL16100245 0.81 LRRK2 (0.38) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16120046 0.80 HTR6 (0.36) —
SCHEMBL16120042 0.80 LRRK2 (0.41) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16102325 0.79 LRRK2 (0.39) LRRK2INSRIGF1RALKGSK3B
SCHEMBL17465770 0.78 CNR2 (0.36) KCNH2MAPK1
SCHEMBL17457579 0.77 GSK3B (0.37) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16100519 0.77 PTGDR2 (0.35) KCNH2GPER1
SCHEMBL16100558 0.77 LRRK2 (0.41) LRRK2INSRIGF1RALKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
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
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
EP-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 972/4885INSR 3026/4885IGF1R 3695/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 972/4885INSR 3026/4885IGF1R 3695/4885

“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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