SCHEMBL16120046

SCHEMBL16120046

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ HTR2C P28335 4/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ SLC6A4 P31645 3/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL17457582 0.84 HTR2A (0.38) HTR2CHTR2AHTR2BJAK1SLC6A4
SCHEMBL16099650 0.80 LRRK2 (0.36) —
SCHEMBL17465770 0.80 CNR2 (0.36) GAA
SCHEMBL16102326 0.79 LRRK2 (0.40) —
SCHEMBL16120051 0.78 CYP4F2 (0.38) DYRK1A
SCHEMBL16099736 0.75 HTR2A (0.34) HTR2CHTR2AHTR2BJAK1SLC6A4
SCHEMBL16099738 0.75 HTR2A (0.34) HTR2CHTR2AHTR2BJAK1JAK2
SCHEMBL16100261 0.75 HTR2C (0.42) HTR2CHTR2AHTR2BSLC6A4HTR1A
SCHEMBL16120066 0.71 HTR6 (0.41) HTR6GBA1HTR2CNQO2SLC6A4
SCHEMBL17457571 0.71 HTR6 (0.36) HTR6GBA1HTR2CSLC6A4GAA

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 HTR6 2832/4885GBA1 2498/4885CACNA1G 4257/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR6 2832/4885GBA1 2498/4885CACNA1G 4257/4885

“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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