SCHEMBL16120036

SCHEMBL16120036

CNCCN(C)Cc1n[nH]c2ccc(OC3CCOC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.44
▸ NTRK1 P04629 1/20 0.37
▸ GRM4 Q14833 4/20 0.35
▸ PRMT1 Q99873 3/20 0.35
▸ CARM1 Q86X55 2/20 0.35
▸ SOS1 Q07889 3/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ALK Q9UM73 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
SCHEMBL16120042 0.94 LRRK2 (0.41) LRRK2NTRK1PRMT1CARM1INSR
SCHEMBL16129427 0.87 PRMT1 (0.47) LRRK2PRMT1CARM1
SCHEMBL17469510 0.86 PRMT1 (0.49) LRRK2PRMT1CARM1
SCHEMBL17469505 0.84 GSK3B (0.38) LRRK2GRM4PRMT1MAPK1
SCHEMBL16100558 0.83 LRRK2 (0.41) LRRK2NTRK1MAPK1INSRIGF1R
SCHEMBL16102326 0.81 LRRK2 (0.40) LRRK2NTRK1MAPK1INSRIGF1R
SCHEMBL17469504 0.80 HTR2A (0.44) LRRK2PRMT1
SCHEMBL16120007 0.80 PRMT5 (0.41) LRRK2PRMT1
SCHEMBL16102325 0.80 LRRK2 (0.39) LRRK2NTRK1MAPK1INSRIGF1R
SCHEMBL16100512 0.80 CYP4F2 (0.40) LRRK2INSRIGF1RALK

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 7 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-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
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 4653/4885GRM4 2103/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 972/4885NTRK1 4653/4885GRM4 2103/4885

“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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