SCHEMBL16201340

SCHEMBL16201340

CCCN(C)Cc1n[nH]cc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.33
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
GRM2 Q14416 1/20 0.33
MCHR1 Q99705 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PYCR1 P32322 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
GCGR P47871 1/20 0.32
MAPK14 Q16539 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NR4A2 P43354 1/20 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
SCHEMBL16201162 0.88 CARM1 (0.43) TDO2GRM2DYRK1APYCR1
SCHEMBL16201380 0.86 CRHR1 (0.36) AGTR1AGTR2DRD2HTR2AHTR2C
SCHEMBL16201358 0.85 PRMT6 (0.39) DYRK1APYCR1PIM1PIM3PIM2
SCHEMBL16201371 0.84 NPSR1 (0.39) AGTR1AGTR2ALDH1A1PYCR1
SCHEMBL16201384 0.83 PRMT3 (0.40) AGTR1AGTR2ALDH1A1
SCHEMBL16201364 0.83 PRMT6 (0.44) PIM1PIM3PIM2
SCHEMBL16201349 0.83 HRH3 (0.43) ALDH1A1HPGDPIM1PIM3PIM2
SCHEMBL16201444 0.82 LTA4H (0.41) AGTR1AGTR2
SCHEMBL16201425 0.82 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL16201372 0.82 SPHK1 (0.33) AGTR1AGTR2

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 TDO2 1592/4885AGTR1 1953/4885AGTR2 2079/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 TDO2 1383/4885AGTR1 2326/4885AGTR2 2366/4885

“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.