SCHEMBL3390337

SCHEMBL3390337

CN1CCCC1CCn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
NOS3 P29474 5/20 0.48
NOS1 P29475 5/20 0.48
NOS2 P35228 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
L3MBTL3 Q96JM7 3/20 0.46
PKM P14618 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
OXTR P30559 1/20 0.43

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
SCHEMBL3385479 0.98 NOS3 (0.49) HRH3NOS3NOS1NOS2L3MBTL1
SCHEMBL3389346 0.84 HTR7 (0.55) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3390512 0.83 L3MBTL3 (0.41) HRH3L3MBTL1L3MBTL3PKMALDH1A1
SCHEMBL3391314 0.83 OXTR (0.52) HRH3L3MBTL1L3MBTL3PKMKDM4E
SCHEMBL3389898 0.83 HTR7 (0.54) HRH3L3MBTL1L3MBTL3
SCHEMBL3388054 0.83 L3MBTL1 (0.46) HRH3L3MBTL1L3MBTL3PKMKDM4E
SCHEMBL3388255 0.82 HTR7 (0.53) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3388018 0.82 HTR7 (0.53) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL4995479 0.82 HTR7 (0.53) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3390563 0.82 OXTR (0.47) HRH3L3MBTL1L3MBTL3PKMKDM4E

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 5 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 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 3/4885NOS3 1576/4885NOS1 2784/4885

“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.