SCHEMBL3043136

SCHEMBL3043136

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(Oc6ccncc6)CC5)CC4)c23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CXCR3 P49682 1/20 0.34
▸ PKLR P30613 1/20 0.33
▸ CYP3A4 P08684 6/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BDKRB1 P46663 3/20 0.32
▸ CHRM2 P08172 3/20 0.31
▸ GHSR Q92847 3/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL3057223 0.94 MAPT (0.37) OPRD1OPRK1CXCR3PKLRCYP2C9
SCHEMBL3049768 0.89 CYP2D6 (0.45) CYP3A4CYP2C9TSHRCYP2D6CYP1A2
SCHEMBL3046916 0.86 BDKRB1 (0.39) OPRD1OPRK1CXCR3CYP3A4CYP2D6
SCHEMBL3056109 0.84 HIF1A (0.42) CYP3A4CYP2C9TSHRCYP2D6CYP1A2
SCHEMBL3063031 0.84 CYP3A4 (0.44) CYP3A4CYP2C9TSHRCYP2D6CYP1A2
SCHEMBL3052405 0.82 CYP2D6 (0.44) CYP3A4CYP2C9TSHRCYP2D6CYP1A2
SCHEMBL3060584 0.81 OPRD1 (0.33) OPRD1OPRK1CXCR3CYP1A2L3MBTL1
SCHEMBL3052067 0.79 TDP1 (0.51) CYP3A4CYP2C9ALDH1A1CYP2C19KMT2A
SCHEMBL13139645 0.78 BDKRB1 (0.41) L3MBTL1ALDH1A1BDKRB1
SCHEMBL2876086 0.78 CYP2D6 (0.44) CYP3A4CYP2C9TSHRCYP2D6CYP1A2

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 4 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-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 OPRD1 33/4885OPRK1 16/4885CXCR3 778/4885

“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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