SCHEMBL3052540

SCHEMBL3052540

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CC(=O)N(C)CCN4CCC(c5cccc(F)c5)(N5CCN(C)CC5)CC4)c3c2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ BDKRB1 P46663 4/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ HTR7 P34969 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL3049703 0.94 HTR6 (0.36) HTR6OPRD1OPRK1BDKRB1SIGMAR1
SCHEMBL3062326 0.88 BDKRB1 (0.33) OPRD1OPRK1BDKRB1SIGMAR1AVPR1B
SCHEMBL3051549 0.76 OPRD1 (0.36) OPRD1OPRK1BDKRB1
SCHEMBL3053153 0.75 HTR6 (0.38) HTR6OPRD1OPRK1BDKRB1
SCHEMBL3058131 0.75 BDKRB1 (0.38) HTR6BDKRB1AVPR1BHTR7
SCHEMBL3412112 0.70 BDKRB1 (0.62) BDKRB1
SCHEMBL3053112 0.70 ALDH1A1 (0.46) HTR6
SCHEMBL3047585 0.70 HTR6 (0.41) HTR6OPRD1OPRK1BDKRB1
SCHEMBL3052593 0.69 HTR6 (0.38) HTR6BDKRB1HTR7
SCHEMBL3050887 0.69 MTNR1A (0.40) HTR6

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 HTR6 103/4885OPRD1 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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