SCHEMBL16120043

SCHEMBL16120043

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.41
▸ SLC6A4 P31645 7/20 0.41
▸ MGLL Q99685 1/20 0.34
▸ AHCY P23526 1/20 0.33
▸ BTK Q06187 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL16103085 0.93 HTR2C (0.39) HTR2CSLC6A4AHCYHTR2AGHSR
SCHEMBL16103527 0.93 HTR2C (0.39) HTR2CSLC6A4AHCYHTR2AGHSR
SCHEMBL16102832 0.90 FFAR1 (0.38) HTR2CSLC6A4MGLLBTKFFAR1
SCHEMBL16103548 0.89 HTR2C (0.36) HTR2CSLC6A4HTR2AALDH1A1
SCHEMBL16103547 0.89 HTR2C (0.36) HTR2CSLC6A4HTR2AALDH1A1
SCHEMBL16099464 0.86 MEN1 (0.35) HTR2CSLC6A4HTR2ASMN1; SMN2GHSR
SCHEMBL16099465 0.86 MEN1 (0.35) HTR2CSLC6A4HTR2ASMN1; SMN2GHSR
SCHEMBL16125892 0.85 HTR2C (0.39) HTR2CSLC6A4HTR2AALDH1A1TSHR
SCHEMBL17465771 0.85 HTR2C (0.39) HTR2CSLC6A4HTR2ACYP4F2CYP4A11
SCHEMBL16120040 0.85 HTR2C (0.38) HTR2CSLC6A4HTR2A

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 7 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-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-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
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US 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 HTR2C 4427/4885SLC6A4 2069/4885MGLL 2133/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR2C 4427/4885SLC6A4 2069/4885MGLL 2133/4885

“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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