SCHEMBL16100520

SCHEMBL16100520

CC(=O)N1CCC(Oc2ccc3[nH]nc(CN(C)CCN(C)C(=O)O)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ GSK3B P49841 3/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 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
SCHEMBL16120051 0.90 CYP4F2 (0.38) CYP4F2CYP4A11CYP3A4TTKHRH3
SCHEMBL16100512 0.88 CYP4F2 (0.40) CYP4F2CYP4A11RORCCYP3A4TTK
SCHEMBL16102946 0.88 CYP4F2 (0.43) CYP4F2CYP4A11RORCCYP3A4TTK
SCHEMBL17469481 0.77 F10 (0.45) CYP4F2CYP4A11LRRK2GSK3BCHEK2
SCHEMBL16102945 0.77 CYP4F2 (0.43) CYP4F2CYP4A11CYP3A4TTKHRH3
SCHEMBL16100818 0.76 HRH1 (0.41) RORCHRH3POLBF10PRSS1
SCHEMBL16099650 0.76 LRRK2 (0.36) HRH3LRRK2GSK3B
SCHEMBL17457582 0.76 HTR2A (0.38) TTKPOLB
SCHEMBL16129427 0.75 PRMT1 (0.47) HRH3LRRK2PRMT5WDR77
SCHEMBL17469510 0.74 PRMT1 (0.49) HRH3LRRK2PRMT5WDR77

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 CYP4F2 751/4885CYP4A11 765/4885RORC 1721/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP4F2 751/4885CYP4A11 765/4885RORC 1721/4885

“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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