SCHEMBL3388653

SCHEMBL3388653

CN(C)C(C)(C)Cn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
L3MBTL1 Q9Y468 5/20 0.46
L3MBTL3 Q96JM7 4/20 0.46
PKM P14618 1/20 0.43
MGLL Q99685 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TP53BP1 Q12888 1/20 0.42

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
SCHEMBL3390912 0.89 L3MBTL3 (0.47) HRH3L3MBTL1L3MBTL3PKMMGLL
SCHEMBL3391314 0.84 OXTR (0.52) HRH3L3MBTL1L3MBTL3PKMKDM4E
SCHEMBL3388013 0.81 OXTR (0.49) HRH3L3MBTL1L3MBTL3PKMKDM4E
SCHEMBL3389346 0.81 HTR7 (0.55) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3390563 0.80 OXTR (0.47) HRH3L3MBTL1L3MBTL3PKMKDM4E
SCHEMBL3389898 0.80 HTR7 (0.54) HRH3L3MBTL1L3MBTL3TP53BP1
SCHEMBL3943261 0.79 HRH3 (0.57) HRH3L3MBTL1MGLLKDM4EALDH1A1
SCHEMBL3388255 0.79 HTR7 (0.53) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3388018 0.79 HTR7 (0.53) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL4995479 0.79 HTR7 (0.53) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP claimed
EP-2029534-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP claimed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US claimed
WO-2007131907-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO claimed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 US claimed
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-2029534-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US disclosed
WO-2007131907-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 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-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 HRH3 3/4885L3MBTL1 4407/4885L3MBTL3 4279/4885

“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.