SCHEMBL3390331

SCHEMBL3390331

CN1CCC(n2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.55
L3MBTL3 Q96JM7 7/20 0.55
MGLL Q99685 3/20 0.46
TP53BP1 Q12888 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL3386140 0.87 L3MBTL3 (0.49) L3MBTL1L3MBTL3MGLLTP53BP1KDM4E
SCHEMBL3383954 0.87 L3MBTL1 (0.49) L3MBTL1L3MBTL3MGLLTP53BP1KDM4E
SCHEMBL3389792 0.85 L3MBTL3 (0.48) L3MBTL1L3MBTL3MGLLTP53BP1
SCHEMBL3387931 0.85 L3MBTL1 (0.46) L3MBTL1L3MBTL3MGLLKDM4EPOLB
SCHEMBL3385483 0.85 L3MBTL3 (0.48) L3MBTL1L3MBTL3MGLLTP53BP1KDM4E
SCHEMBL3387674 0.85 L3MBTL1 (0.46) L3MBTL1L3MBTL3MGLLKDM4EPOLB
SCHEMBL3387977 0.84 HPGD (0.42) L3MBTL1L3MBTL3MGLLALDH1A1
SCHEMBL3388530 0.84 HRH3 (0.45) L3MBTL1L3MBTL3MGLL
SCHEMBL3385995 0.83 L3MBTL3 (0.46) L3MBTL1L3MBTL3MGLLTP53BP1ALDH1A1
SCHEMBL3387238 0.83 L3MBTL3 (0.46) L3MBTL1L3MBTL3MGLLTP53BP1HTT

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 L3MBTL1 4407/4885L3MBTL3 4279/4885MGLL 3207/4885

“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.