SCHEMBL3389928

SCHEMBL3389928

CCN(CCn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MGLL Q99685 3/20 0.40
L3MBTL3 Q96JM7 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL3389497 0.86 HRH3 (0.42) OXTRALDH1A1GAAHPGDHRH3
SCHEMBL3390563 0.84 OXTR (0.47) OXTRL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL3391314 0.82 OXTR (0.52) OXTRL3MBTL1KDM4EHRH3L3MBTL3
SCHEMBL3388013 0.79 OXTR (0.49) OXTRHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL3391345 0.78 OXTR (0.51) OXTRHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL3389346 0.77 HTR7 (0.55) HTTL3MBTL1ALDH1A1KDM4EHRH3
SCHEMBL3389898 0.77 HTR7 (0.54) L3MBTL1HRH3L3MBTL3
SCHEMBL4995479 0.76 HTR7 (0.53) HTTL3MBTL1ALDH1A1KDM4EHRH3
SCHEMBL3388255 0.76 HTR7 (0.53) HTTL3MBTL1ALDH1A1KDM4EHRH3
SCHEMBL3388018 0.76 HTR7 (0.53) HTTL3MBTL1ALDH1A1KDM4EHRH3

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 OXTR 368/4885HTT 426/4885L3MBTL1 4407/4885

“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.