SCHEMBL16201428

SCHEMBL16201428

CCCN(C)Cc1c[nH]nc1-c1ccc(OC2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR119 Q8TDV5 3/20 0.35
CHEK1 O14757 3/20 0.34
HTT P42858 1/20 0.34
LRRK2 Q5S007 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
BTK Q06187 1/20 0.33
GAA P10253 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
SCHEMBL16201365 0.92 HRH3 (0.42) HRH3
SCHEMBL16201266 0.91 CARM1 (0.41) HRH3ALDH1A1CHEK1HTTLRRK2
SCHEMBL16204205 0.89 PRMT1 (0.43) HRH3ALDH1A1
SCHEMBL16201379 0.85 ALDH1A1 (0.40) HRH3ALDH1A1HTTL3MBTL1AXL
SCHEMBL16201204 0.82 CARM1 (0.45) HRH3
SCHEMBL17758405 0.81 PRMT1 (0.47) HRH3
SCHEMBL16201414 0.79 PRMT1 (0.41) ALDH1A1L3MBTL1GAA
SCHEMBL17758391 0.79 PRMT1 (0.50) HRH3
SCHEMBL16201376 0.78 KDM4E (0.36) ALDH1A1
SCHEMBL16201419 0.78 MEN1 (0.41) ALDH1A1GAA

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 HRH3 1068/4885ALDH1A1 686/4885GPR119 820/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HRH3 928/4885ALDH1A1 895/4885GPR119 979/4885

“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.