SCHEMBL16201391

SCHEMBL16201391

CCCN(C)Cc1c[nH]nc1-c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.45
MAOB P27338 4/20 0.43
HTR7 P34969 3/20 0.43
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.37
BCHE P06276 1/20 0.37
CHRM1 P11229 1/20 0.37
ACHE P22303 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR5A P47898 1/20 0.37
METAP2 P50579 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
SCHEMBL16201200 0.89 CHRM2 (0.44) CHRM2MAOBHTR7ALDH1A1
SCHEMBL16204178 0.86 CARM1 (0.44) CHRM2MAOBHTR7
SCHEMBL16201401 0.85 ALDH1A1 (0.44) CHRM2ALDH1A1HTR2CHTR2A
SCHEMBL16201423 0.85 KDM4E (0.46) CHRM2MAOBALDH1A1HTR2CSMN1; SMN2
SCHEMBL16201417 0.84 MEN1 (0.39) CHRM2MAOBHTR7ALDH1A1DCUN1D1
SCHEMBL16201359 0.84 CRHR1 (0.46) ALDH1A1HPGD
SCHEMBL16772918 0.84 CYP1A2 (0.35) CHRM2MAOBSMN1; SMN2
SCHEMBL16201351 0.83 LMNA (0.44) HTR7ALDH1A1HTR1AHTR2CSMN1; SMN2
SCHEMBL16201381 0.83 CRHR1 (0.41) HTR7HTR1AHTR2BHTR2C
SCHEMBL16201408 0.83 L3MBTL1 (0.45) ALDH1A1HTR1AHTR2BHTR2CHPGD

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 CHRM2 2090/4885MAOB 445/4885HTR7 3116/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CHRM2 2407/4885MAOB 697/4885HTR7 3202/4885

“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.