SCHEMBL19477405

SCHEMBL19477405

COc1ncc(Br)cc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
SCN9A Q15858 1/20 0.47
ALOX5AP P20292 3/20 0.47
FEN1 P39748 3/20 0.47
GPR119 Q8TDV5 6/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CD O00329 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
USP30 Q70CQ3 1/20 0.42
RBP4 P02753 1/20 0.42

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
SCHEMBL19477404 0.88 IDO1 (0.49) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL19462185 0.86 RBP4 (0.43) PIK3CAPIK3CDRBP4
SCHEMBL15088038 0.84 IDO1 (0.47) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL17837669 0.81 GPR119 (0.48) IDO1TDO2ALOX5APFEN1GPR119
SCHEMBL7522800 0.81 IDO1 (0.50) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL23579456 0.80 GPR119 (0.49) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL30045411 0.80 GPR119 (0.49) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL26307900 0.80 SCN9A (0.54) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL21381052 0.80 SCN9A (0.54) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL30519618 0.80 PDE4B (0.48) IDO1TDO2GPR119PIK3CAPIK3CD

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
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 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 (1 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 IDO1 269/4885TDO2 389/4885SCN9A 3816/4885

“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.