SCHEMBL3052564

SCHEMBL3052564

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N4CCC(c5ccccc5)(N(C)C)CC4)c23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ OPRM1 P35372 3/20 0.37
▸ OPRL1 P41146 3/20 0.37
▸ BDKRB1 P46663 9/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ APP P05067 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PKLR P30613 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
SCHEMBL3047591 0.88 AVPR1B (0.37) OPRD1OPRK1OPRM1OPRL1BDKRB1
SCHEMBL3060341 0.84 BDKRB1 (0.53) BDKRB1
SCHEMBL3065418 0.82 GAA (0.40) GAAMAPTTDP1HSD17B10L3MBTL1
SCHEMBL3052405 0.82 CYP2D6 (0.44) TDP1
SCHEMBL3061729 0.81 BDKRB1 (0.51) BDKRB1HSD17B10L3MBTL1
SCHEMBL3056130 0.81 BDKRB1 (0.51) BDKRB1L3MBTL1
SCHEMBL13139533 0.80 GAA (0.40) GAAMAPTTDP1HSD17B10
SCHEMBL3046839 0.80 BDKRB1 (0.35) OPRD1OPRK1OPRM1OPRL1BDKRB1
SCHEMBL3055551 0.80 BDKRB1 (0.41) BDKRB1TDP1L3MBTL1
SCHEMBL3051543 0.80 BDKRB1 (0.52) BDKRB1TDP1

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 2 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-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 16/4885OPRM1 135/4885

“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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