SCHEMBL16102832

SCHEMBL16102832

CN(CCN(C)C(=O)O)Cc1nn(C2CCCCO2)c2ccc(Oc3cccc(Cl)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ PPARG P37231 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NAAA Q02083 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
SCHEMBL16099908 0.93 BACE1 (0.35) FFAR1KDM4ERXRARXRBRXRG
SCHEMBL16120043 0.90 HTR2C (0.41) FFAR1MGLLBTKCYP4F2CYP4A11
SCHEMBL16103527 0.84 HTR2C (0.39) HTR2CSLC6A4
SCHEMBL16103085 0.84 HTR2C (0.39) HTR2CSLC6A4
SCHEMBL16093809 0.83 NPC1 (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16099979 0.83 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16099723 0.81 RXRA (0.35) RXRARXRBRXRGMEN1KMT2A
SCHEMBL16103548 0.80 HTR2C (0.36) HTR2CSLC6A4
SCHEMBL16103547 0.80 HTR2C (0.36) HTR2CSLC6A4
SCHEMBL16100500 0.77 RXRA (0.38) RXRARXRBRXRGMEN1KMT2A

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 5 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-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
EP-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 FFAR1 3481/4885MGLL 2133/4885BTK 2227/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 FFAR1 3481/4885MGLL 2133/4885BTK 2227/4885

“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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