SCHEMBL16201343

SCHEMBL16201343

CCCN(C)Cc1c[nH]nc1-c1ccc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.36
CRHR1 P34998 7/20 0.34
HSP90AB1 P08238 4/20 0.32
ALPL P05186 2/20 0.32
LMNA P02545 1/20 0.32
CA9 Q16790 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL16201178 0.89 CARM1 (0.39) PYCR1HSP90AB1ALPL
SCHEMBL16201413 0.88 NMT1 (0.40) CRHR1HSP90AB1ALDH1A1MAPT
SCHEMBL16201404 0.88 CRHR1 (0.44) PYCR1CRHR1HSP90AB1
SCHEMBL16201360 0.88 ALDH1A1 (0.36) LMNAALDH1A1MAPT
SCHEMBL16201377 0.88 CRHR1 (0.38) CRHR1ALDH1A1POLBMAPTGPR55
SCHEMBL16204226 0.86 PRMT1 (0.41) PYCR1HSP90AB1ALPL
SCHEMBL16201405 0.86 CRHR1 (0.47) CRHR1ALDH1A1
SCHEMBL16201354 0.85 HTR2A (0.34) CRHR1ALDH1A1POLBMAPTGPR55
SCHEMBL16201393 0.84 HRH3 (0.34) HSP90AB1
SCHEMBL16201417 0.84 MEN1 (0.39) LMNAALDH1A1MAPT

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 PYCR1 2429/4885CRHR1 3768/4885HSP90AB1 3485/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PYCR1 1488/4885CRHR1 3785/4885HSP90AB1 3437/4885

“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.