SCHEMBL16201376

SCHEMBL16201376

CCCN(C)Cc1c[nH]nc1-c1ccc(C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
DGAT1 O75907 2/20 0.31
SOAT1 P35610 1/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
CYP2C9 P11712 1/20 0.31
LSS P48449 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL16201379 0.92 ALDH1A1 (0.40) KDM4EALDH1A1BCHEACHEHTR1D
SCHEMBL16201205 0.89 CARM1 (0.40) SLC6A2SLC6A4SLC6A3CHIT1CHIA
SCHEMBL16201365 0.83 HRH3 (0.42) BCHEACHE
SCHEMBL16201421 0.83 MEN1 (0.36) KDM4EALDH1A1
SCHEMBL16201317 0.82 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL16201347 0.82 CRHR1 (0.38) KDM4EALDH1A1CYP2C9
SCHEMBL16201189 0.82 ALDH1A1 (0.39) ALDH1A1HTR1D
SCHEMBL16124926 0.81 ALDH1A1 (0.32) ALDH1A1HTR1DHTR1B
SCHEMBL16201341 0.81 MOK (0.37) ALDH1A1BCHEACHE
SCHEMBL16201353 0.81 ALDH1A1 (0.35) KDM4ESLC6A2SLC6A4ALDH1A1NOTUM

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 4 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-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-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 (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-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM4E 157/4885SLC6A2 1784/4885SLC6A4 2514/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM4E 288/4885SLC6A2 2703/4885SLC6A4 2817/4885

“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.