SCHEMBL3390912

SCHEMBL3390912

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TP53BP1 Q12888 1/20 0.43
OXTR P30559 2/20 0.42
PKM P14618 1/20 0.41
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3388653 0.89 HRH3 (0.48) L3MBTL3L3MBTL1HRH3TP53BP1PKM
SCHEMBL3391314 0.84 OXTR (0.52) L3MBTL3L3MBTL1HRH3TP53BP1OXTR
SCHEMBL4351007 0.83 HRH3 (0.49) HRH3OXTR
SCHEMBL3388013 0.79 OXTR (0.49) L3MBTL3L3MBTL1HRH3OXTRPKM
SCHEMBL3389346 0.79 HTR7 (0.55) L3MBTL3L3MBTL1HRH3KDM4EPOLB
SCHEMBL3390563 0.79 OXTR (0.47) L3MBTL3L3MBTL1HRH3OXTRPKM
SCHEMBL3389448 0.78 L3MBTL3 (0.44) L3MBTL3L3MBTL1HRH3OXTRPKM
SCHEMBL3389898 0.78 HTR7 (0.54) L3MBTL3L3MBTL1HRH3TP53BP1
SCHEMBL4995479 0.77 HTR7 (0.53) L3MBTL3L3MBTL1HRH3KDM4EPOLB
SCHEMBL3388255 0.77 HTR7 (0.53) L3MBTL3L3MBTL1HRH3KDM4EPOLB

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 L3MBTL3 4279/4885L3MBTL1 4407/4885HRH3 3/4885

“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.