SCHEMBL16201349

SCHEMBL16201349

CCCN(C)Cc1n[nH]cc1-c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
CYP11B2 P19099 3/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM1A O60341 4/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK1 O14757 1/20 0.34
CRHR1 P34998 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MMP2 P08253 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL16201192 0.89 KDM1A (0.44) CYP11B2DRD2HTR2AHTR2CKDM1A
SCHEMBL16201380 0.83 CRHR1 (0.36) DRD2HTR2AHTR2CTSHRCRHR1
SCHEMBL16201340 0.83 TDO2 (0.33) DRD2HTR2AHTR2CPIM1PIM3
SCHEMBL16201371 0.81 NPSR1 (0.39) ALDH1A1
SCHEMBL16201326 0.80 HRH3 (0.43) HRH3DRD2HTR2AHTR2CKDM1A
SCHEMBL16201358 0.80 PRMT6 (0.39) CYP11B2DRD2KDM1APIM1PIM3
SCHEMBL16201372 0.79 SPHK1 (0.33)
SCHEMBL16201425 0.79 AGTR1 (0.35) HRH3
SCHEMBL16201444 0.79 LTA4H (0.41) TSHRHSD17B10
SCHEMBL16187815 0.78 HRH3 (0.43) HRH3CYP11B2DRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 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 (1 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 HRH3 1068/4885CYP11B2 247/4885DRD2 4718/4885

“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.