SCHEMBL16102326

SCHEMBL16102326

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.40
▸ NTRK1 P04629 1/20 0.36
▸ MAPK1 P28482 7/20 0.34
▸ GPER1 Q99527 1/20 0.34
▸ CPT2 P23786 2/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ INSR P06213 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ACACB O00763 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
SCHEMBL16099650 0.95 LRRK2 (0.36) LRRK2NTRK1MAPK1GPER1INSR
SCHEMBL16120051 0.84 CYP4F2 (0.38) LRRK2GSK3B
SCHEMBL16102325 0.84 LRRK2 (0.39) LRRK2NTRK1MAPK1GPER1CPT2
SCHEMBL16100558 0.82 LRRK2 (0.41) LRRK2NTRK1MAPK1CPT2CPT1A
SCHEMBL16120036 0.81 LRRK2 (0.44) LRRK2NTRK1MAPK1INSRIGF1R
SCHEMBL16120046 0.79 HTR6 (0.36) —
SCHEMBL17457575 0.78 LRRK2 (0.38) LRRK2NTRK1MAPK1GSK3BKCNH2
SCHEMBL16100001 0.78 PTGDR2 (0.35) GPER1CPT2CPT1AGCKKCNH2
SCHEMBL16100245 0.77 LRRK2 (0.38) LRRK2NTRK1MAPK1INSRIGF1R
SCHEMBL17465770 0.76 CNR2 (0.36) MAPK1KCNH2

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 972/4885NTRK1 4653/4885MAPK1 2610/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 972/4885NTRK1 4653/4885MAPK1 2610/4885

“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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