SCHEMBL16201352

SCHEMBL16201352

CCCN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PYCR1 P32322 1/20 0.37

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
SCHEMBL16201377 0.89 CRHR1 (0.38) CRHR1
SCHEMBL16201404 0.89 CRHR1 (0.44) CRHR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16201180 0.89 CARM1 (0.41) CRHR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16201348 0.88 NISCH (0.36) CRHR1TDP1
SCHEMBL16201399 0.88 SLC6A2 (0.35) CRHR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16201394 0.87 CRHR1 (0.40) CRHR1
SCHEMBL16201406 0.86 TDP1 (0.34) CRHR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16201389 0.85 PRMT6 (0.38) CRHR1
SCHEMBL16201381 0.85 CRHR1 (0.41) CRHR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16201408 0.84 L3MBTL1 (0.45) TDP1

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 CRHR1 3768/4885CYP1A2 1176/4885CYP3A4 1585/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CRHR1 3785/4885CYP1A2 728/4885CYP3A4 869/4885

“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.