SCHEMBL16129386

SCHEMBL16129386

CNCCN(C)Cc1n[nH]c2ccc(OCCc3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ TTK P33981 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ GP6 Q9HCN6 2/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ BCHE P06276 1/20 0.36

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
SCHEMBL17469475 0.90 HTR1D (0.46) TTKHTR1DTRPM8MAOBSLC6A4
SCHEMBL17469484 0.86 TTK (0.39) TTKHTR1DPRMT1
SCHEMBL16100514 0.85 LRRK2 (0.43) TTKMAOAFLT3
SCHEMBL16129433 0.85 LRRK2 (0.38) TTKFLT3PRMT1
SCHEMBL16120045 0.84 TTK (0.39) TTKHTR6HTR1DTRPM8ROCK2
SCHEMBL17469471 0.84 TTK (0.48) TTKTSHRPRMT1
SCHEMBL16129434 0.84 LRRK2 (0.36) TTKHTR1DROCK2SIGMAR1PRMT1
SCHEMBL16129428 0.83 ROCK2 (0.37) MTNR1AMTNR1BTTKHTR6ROCK2
SCHEMBL17469490 0.82 SIGMAR1 (0.40) TTKHTR6ROCK2ROCK1SIGMAR1
SCHEMBL17469504 0.82 HTR2A (0.44) MTNR1AMTNR1BHTR6HTR1DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9943504-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2018-04-17 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-04 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
US-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — 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 (4 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-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MTNR1A 1077/4885MTNR1B 818/4885TTK 3253/4885
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MTNR1A 1077/4885MTNR1B 818/4885TTK 3253/4885
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MTNR1A 1077/4885MTNR1B 818/4885TTK 3253/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MTNR1A 1077/4885MTNR1B 818/4885TTK 3253/4885

“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.

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