SCHEMBL3058131

SCHEMBL3058131

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CC(=O)N(C)CCCN4CCN(c5ccncc5)CC4)c3c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.38
▸ HTR6 P50406 3/20 0.37
▸ F10 P00742 2/20 0.37
▸ HTR7 P34969 2/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AVPR1B P47901 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ HRH1 P35367 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
SCHEMBL3052593 0.94 HTR6 (0.38) BDKRB1HTR6F10HTR7HRH3
SCHEMBL3052539 0.86 BDKRB1 (0.38) BDKRB1HTR7HRH3DRD3MAPT
SCHEMBL3042694 0.78 CYP2D6 (0.45) F10
SCHEMBL3056448 0.76 MTNR1A (0.41) BDKRB1HTR6F10MEN1MAPT
SCHEMBL3052540 0.75 HTR6 (0.35) BDKRB1HTR6HTR7AVPR1B
SCHEMBL3053112 0.74 ALDH1A1 (0.46) HTR6MEN1MAPTKMT2A
SCHEMBL3053153 0.73 HTR6 (0.38) BDKRB1HTR6MEN1KMT2A
SCHEMBL3062814 0.72 HTR6 (0.46) BDKRB1HTR6
SCHEMBL3439845 0.71 BDKRB1 (0.51) BDKRB1DRD4
SCHEMBL13139524 0.71 HTR6 (0.46) HTR6MEN1MAPTKMT2A

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 1/4885HTR6 103/4885F10 184/4885

“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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