SCHEMBL3387674

SCHEMBL3387674

CN1CC(n2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
L3MBTL3 Q96JM7 3/20 0.46
HRH3 Q9Y5N1 2/20 0.44
MGLL Q99685 4/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 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
SCHEMBL3387238 0.98 L3MBTL3 (0.46) L3MBTL1L3MBTL3HRH3MGLLHTT
SCHEMBL3390331 0.85 L3MBTL1 (0.55) L3MBTL1L3MBTL3MGLLKDM4EALDH1A1
SCHEMBL3387931 0.80 L3MBTL1 (0.46) L3MBTL1L3MBTL3HRH3MGLLKDM4E
SCHEMBL3383954 0.80 L3MBTL1 (0.49) L3MBTL1L3MBTL3HRH3MGLLKDM4E
SCHEMBL3386140 0.80 L3MBTL3 (0.49) L3MBTL1L3MBTL3HRH3MGLLKDM4E
SCHEMBL3388519 0.79 L3MBTL3 (0.50) L3MBTL1L3MBTL3ALDH1A1
SCHEMBL3385483 0.78 L3MBTL3 (0.48) L3MBTL1L3MBTL3HRH3MGLLKDM4E
SCHEMBL3389792 0.78 L3MBTL3 (0.48) L3MBTL1L3MBTL3HRH3MGLL
SCHEMBL3385995 0.77 L3MBTL3 (0.46) L3MBTL1L3MBTL3HRH3MGLLALDH1A1
SCHEMBL3385989 0.77 L3MBTL3 (0.46) L3MBTL1L3MBTL3HRH3MGLLALDH1A1

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 6 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
CN-101443311-A 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN LA ROCHE (CH) 2009-05-27 CN 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 L3MBTL1 4407/4885L3MBTL3 4279/4885HRH3 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.