SCHEMBL3057802

SCHEMBL3057802

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CC(=O)N4CCC(CN5C=CC(C(=O)O)=CC5)(N5CCN(C)CC5)CC4)c3c2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ BDKRB1 P46663 3/20 0.32
▸ HTR6 P50406 4/20 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
SCHEMBL3062814 0.73 HTR6 (0.46) OPRD1OPRK1BDKRB1HTR6
SCHEMBL3053112 0.73 ALDH1A1 (0.46) HTR6
SCHEMBL13139524 0.70 HTR6 (0.46) HTR6
SCHEMBL3053633 0.70 KMO (0.46) HTR6
SCHEMBL3057526 0.69 ALDH1A1 (0.43) HTR6
SCHEMBL3052860 0.68 HTR6 (0.40) OPRD1OPRK1BDKRB1HTR6
SCHEMBL13139522 0.68 ALDH1A1 (0.42) HTR6
SCHEMBL3042694 0.68 CYP2D6 (0.45) —
SCHEMBL3052540 0.67 HTR6 (0.35) OPRD1OPRK1BDKRB1HTR6
SCHEMBL3051549 0.66 OPRD1 (0.36) OPRD1OPRK1BDKRB1

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 claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
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 16/4885BDKRB1 1/4885

“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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