SCHEMBL3055551

SCHEMBL3055551

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N4CCC(CCN5CCCC5)CC4)c23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 6/20 0.41
▸ NPY1R P25929 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL13139645 0.93 BDKRB1 (0.41) BDKRB1L3MBTL1TGFBR1NPY5RHTR6
SCHEMBL3051543 0.87 BDKRB1 (0.52) BDKRB1TDP1
SCHEMBL3056130 0.85 BDKRB1 (0.51) BDKRB1L3MBTL1
SCHEMBL3060341 0.84 BDKRB1 (0.53) BDKRB1HTR6
SCHEMBL3053503 0.84 DRD2 (0.38) BDKRB1NPY1RDRD2DRD3TGFBR1
SCHEMBL3061729 0.84 BDKRB1 (0.51) BDKRB1L3MBTL1
SCHEMBL3062814 0.80 HTR6 (0.46) BDKRB1HTR6
SCHEMBL3052564 0.80 OPRD1 (0.38) BDKRB1L3MBTL1TDP1
SCHEMBL3065418 0.80 GAA (0.40) L3MBTL1TDP1
SCHEMBL13139533 0.80 GAA (0.40) TDP1

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 BDKRB1 1/4885NPY1R 5/4885DRD2 36/4885

“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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