SCHEMBL3046916

SCHEMBL3046916

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(N6CCC6)CC5)CC4)c23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 9/20 0.39
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CBX7 O95931 1/20 0.34
▸ CDYL2 Q8N8U2 1/20 0.34
▸ CDYL Q9Y232 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CHRM2 P08172 3/20 0.33
▸ GHSR Q92847 3/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL3043136 0.86 OPRD1 (0.35) BDKRB1OPRD1OPRK1L3MBTL1CYP2D6
SCHEMBL3049768 0.84 CYP2D6 (0.45) MAPK1CYP2D6CYP2C19CYP3A4
SCHEMBL13139645 0.81 BDKRB1 (0.41) BDKRB1L3MBTL1
SCHEMBL3061729 0.81 BDKRB1 (0.51) BDKRB1L3MBTL1MAPK1HSD17B10
SCHEMBL3056130 0.81 BDKRB1 (0.51) BDKRB1L3MBTL1MAPK1CYP2D6CYP2C19
SCHEMBL3057223 0.80 MAPT (0.37) BDKRB1OPRD1OPRK1L3MBTL1CXCR3
SCHEMBL3056109 0.80 HIF1A (0.42) MAPK1CYP2D6CYP2C19CYP3A4
SCHEMBL3063031 0.79 CYP3A4 (0.44) MAPK1CYP2D6CYP2C19CYP3A4
SCHEMBL3047576 0.78 KMT2A (0.41) HSD17B10
SCHEMBL3051378 0.77 PLD1 (0.42) OPRD1OPRK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885OPRD1 33/4885OPRK1 16/4885

“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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