SCHEMBL16099442

SCHEMBL16099442

CC(C)(CN)NCc1n[nH]c2ccc(OC3CCOC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.47
▸ NTRK1 P04629 1/20 0.38
▸ SOS1 Q07889 5/20 0.37
▸ GRM4 Q14833 4/20 0.36
▸ MAPK1 P28482 3/20 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
SCHEMBL16101089 0.94 LRRK2 (0.43) LRRK2NTRK1GRM4MAPK1
SCHEMBL17457573 0.80 PRMT5 (0.44) LRRK2
SCHEMBL17457593 0.78 LRRK2 (0.43) LRRK2NTRK1GRM4MAPK1
SCHEMBL16120036 0.74 LRRK2 (0.44) LRRK2NTRK1SOS1GRM4MAPK1
SCHEMBL17457575 0.71 LRRK2 (0.38) LRRK2NTRK1SOS1MAPK1
SCHEMBL16102326 0.70 LRRK2 (0.40) LRRK2NTRK1MAPK1
SCHEMBL16100558 0.70 LRRK2 (0.41) LRRK2NTRK1MAPK1
SCHEMBL17457591 0.70 NTRK1 (0.41) NTRK1
SCHEMBL17457577 0.70 LRRK2 (0.38) LRRK2NTRK1SOS1MAPK1
SCHEMBL16102325 0.70 LRRK2 (0.39) LRRK2NTRK1MAPK1

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 5 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-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
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

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 4653/4885SOS1 3646/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LRRK2 972/4885NTRK1 4653/4885SOS1 3646/4885

“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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