SCHEMBL3047585

SCHEMBL3047585

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CCC(=O)N(C)CCC4CCC(c5ccccc5)(N(C)C)CC4)c3c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.41
▸ BDKRB1 P46663 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL3053153 0.93 HTR6 (0.38) HTR6BDKRB1OPRM1OPRL1OPRD1
SCHEMBL3046839 0.81 BDKRB1 (0.35) BDKRB1OPRM1OPRL1OPRD1OPRK1
SCHEMBL3053633 0.77 KMO (0.46) HTR6MTNR1AMTNR1BGAAMAPT
SCHEMBL3049703 0.76 HTR6 (0.36) HTR6BDKRB1OPRD1OPRK1
SCHEMBL13139524 0.75 HTR6 (0.46) HTR6MTNR1AMTNR1BGAAMAPT
SCHEMBL3047591 0.75 AVPR1B (0.37) BDKRB1OPRM1OPRL1MAPTOPRD1
SCHEMBL3052593 0.74 HTR6 (0.38) HTR6BDKRB1
SCHEMBL3406609 0.73 BDKRB1 (0.57) BDKRB1
SCHEMBL3053112 0.72 ALDH1A1 (0.46) HTR6MTNR1AMTNR1BGAAMAPT
SCHEMBL3050887 0.71 MTNR1A (0.40) HTR6MTNR1AMTNR1BMAPT

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 claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed

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 103/4885BDKRB1 1/4885OPRM1 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.

Send feedback