SCHEMBL3386140

SCHEMBL3386140

CCN1CCC(n2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53BP1 Q12888 1/20 0.44
MGLL Q99685 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
CNR1 P21554 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
SCHEMBL3385483 0.98 L3MBTL3 (0.48) L3MBTL3L3MBTL1HRH3ALDH1A1TP53BP1
SCHEMBL3387931 0.96 L3MBTL1 (0.46) L3MBTL3L3MBTL1HRH3ALDH1A1MEN1
SCHEMBL3390331 0.87 L3MBTL1 (0.55) L3MBTL3L3MBTL1ALDH1A1TP53BP1MGLL
SCHEMBL3388648 0.87 KDM4E (0.56) L3MBTL3L3MBTL1HRH3ALDH1A1KMT2A
SCHEMBL3386037 0.86 HRH3 (0.47) HRH3
SCHEMBL3390885 0.86 HRH3 (0.47) HRH3
SCHEMBL3387943 0.85 KDM4E (0.56) L3MBTL3L3MBTL1HRH3ALDH1A1KMT2A
SCHEMBL3389895 0.85 HPGD (0.41) L3MBTL3L3MBTL1HRH3ALDH1A1MEN1
SCHEMBL3383954 0.84 L3MBTL1 (0.49) L3MBTL3L3MBTL1HRH3ALDH1A1TP53BP1
SCHEMBL3387912 0.83 KDM4E (0.60) L3MBTL3L3MBTL1HRH3ALDH1A1MEN1

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 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.