SCHEMBL16201430

SCHEMBL16201430

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.40
CYP2D6 P10635 7/20 0.40
CYP2C9 P11712 6/20 0.40
CYP2C19 P33261 6/20 0.40
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 5/20 0.40
GPR84 Q9NQS5 1/20 0.35
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
XDH P47989 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AGER Q15109 1/20 0.35
LSS P48449 2/20 0.35
ALPL P05186 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
SCHEMBL16201438 0.95 NR1I2 (0.38) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16201283 0.90 CARM1 (0.45) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16204201 0.88 PRMT1 (0.42) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16201419 0.87 MEN1 (0.41) XDHSLC6A2SLC6A4SLC6A3ALPL
SCHEMBL16201279 0.85 CARM1 (0.46) CYP3A4SLC6A2SLC6A4SLC6A3LSS
SCHEMBL16201414 0.83 PRMT1 (0.41)
SCHEMBL16201342 0.82 PRMT1 (0.39) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL16201431 0.80 HRH3 (0.55) CYP1A2
SCHEMBL16201421 0.80 MEN1 (0.36)
SCHEMBL16201332 0.80 PRMT1 (0.51) PDE3BPDE3AXDH

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 CYP19A1 1163/4885CYP2D6 1328/4885CYP2C9 1861/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP19A1 1237/4885CYP2D6 1105/4885CYP2C9 1475/4885

“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.