SCHEMBL1298592

SCHEMBL1298592

COc1ccc(Oc2cc(Br)ccc2NC[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.37
▸ ITGA4 P13612 3/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ DPP4 P27487 3/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34

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
SCHEMBL1298827 0.85 FPR3 (0.46) ALDH1A1L3MBTL1HDAC8USP30
SCHEMBL1298831 0.85 FPR3 (0.46) ALDH1A1L3MBTL1HDAC8USP30
SCHEMBL1888849 0.81 GPR119 (0.40) HDAC8DPP4EP300DPP7FAP
SCHEMBL1298655 0.77 AHCY (0.44) ALDH1A1L3MBTL1HDAC8GHSR
SCHEMBL1298658 0.77 AHCY (0.44) ALDH1A1L3MBTL1HDAC8GHSR
SCHEMBL29774856 0.75 TGFBR1 (0.40) ITGA4DPP4TGFBR1FAP
SCHEMBL1298347 0.74 AHCY (0.51) ALDH1A1MAPTEP300
SCHEMBL1298343 0.74 AHCY (0.51) ALDH1A1MAPTEP300
SCHEMBL19540704 0.74 ECE1 (0.40) HDAC8ITGA4DPP4DPP7FAP
SCHEMBL1871091 0.74 FFAR1 (0.43) ALDH1A1GAAMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 — — US disclosed
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 — — US disclosed
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 — — US disclosed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 — — US disclosed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 — — US disclosed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 — — US disclosed
EP-2493852-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 — — EP disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 — — US disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 — — US disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 — — US disclosed
WO-2011053706-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — WO disclosed
WO-2011053706-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — 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-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS OPRK1, OPRD1, OPRM1 ALDH1A1 779/4885GAA 3104/4885MAPT 1365/4885
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ALDH1A1 395/4885GAA 3041/4885MAPT 2591/4885

“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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