SCHEMBL3051378

SCHEMBL3051378

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CC4)C(=O)NCN5c4ccccc4)c23)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 7/20 0.42
▸ OPRK1 P41145 5/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ OPRL1 P41146 7/20 0.41
▸ OPRM1 P35372 6/20 0.41
▸ PLD2 O14939 5/20 0.41
▸ SLC6A9 P48067 2/20 0.40
▸ SLC6A5 Q9Y345 2/20 0.40
▸ OPRD1 P41143 3/20 0.39
▸ CACNA1F O60840 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL3049768 0.80 CYP2D6 (0.45) —
SCHEMBL3057223 0.78 MAPT (0.37) OPRK1OPRD1
SCHEMBL3056109 0.78 HIF1A (0.42) —
SCHEMBL3047576 0.77 KMT2A (0.41) —
SCHEMBL3051549 0.77 OPRD1 (0.36) OPRK1OPRD1
SCHEMBL3046916 0.77 BDKRB1 (0.39) OPRK1OPRD1CHRM2
SCHEMBL3063031 0.77 CYP3A4 (0.44) —
SCHEMBL3043136 0.76 OPRD1 (0.35) OPRK1OPRD1CHRM2
SCHEMBL3052067 0.76 TDP1 (0.51) —
SCHEMBL13139645 0.76 BDKRB1 (0.41) —

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 PLD1 840/4885OPRK1 16/4885HTR1A 18/4885

“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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