SCHEMBL16201299

SCHEMBL16201299

CC(C)Oc1ccc(-c2nn(C3CCCCO3)cc2CN(C)CCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.36
SLC6A4 P31645 6/20 0.36
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
ABL1 P00519 1/20 0.32
BCHE P06276 2/20 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
SCHEMBL19409291 0.90 HTR2C (0.40) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL16068284 0.89 HTR2C (0.38) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL17621973 0.88 HTR2C (0.36) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL17610254 0.88 HTR2C (0.36) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL16068182 0.88 HTR2C (0.37) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL16194361 0.87 HTR2C (0.37) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL16194334 0.87 HTR2C (0.38) HTR2CSLC6A4HTR2AFLT3SYK
SCHEMBL16201316 0.87 BTK (0.35) HTR2CSLC6A4PRMT3CARM1PRMT6
SCHEMBL16058330 0.86 HTR2C (0.36) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL16194244 0.86 HTR2C (0.37) HTR2CSLC6A4MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-9732041-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-15 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-02 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 US disclosed
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-05-19 US disclosed
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-05-19 US disclosed
WO-2014178954-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 WO disclosed
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 US disclosed
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 US 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 (3 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-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2C 4390/4885SLC6A4 2514/4885PRMT3 2/4885
US-20170057926-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2C 4390/4885SLC6A4 2514/4885PRMT3 2/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2C 4201/4885SLC6A4 2817/4885PRMT3 2/4885

“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.