SCHEMBL3391345

SCHEMBL3391345

CN(CCn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.51
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
MGLL Q99685 3/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3388013 0.87 OXTR (0.49) OXTRKDM4EALDH1A1POLBHTT
SCHEMBL3391314 0.87 OXTR (0.52) OXTRKDM4EPOLBCNR1CNR2
SCHEMBL3387643 0.85 HRH3 (0.51) OXTRKDM4E
SCHEMBL3943261 0.84 HRH3 (0.57) KDM4EALDH1A1POLBMGLLCNR1
SCHEMBL3390563 0.83 OXTR (0.47) OXTRKDM4EALDH1A1POLBCNR1
SCHEMBL3389346 0.80 HTR7 (0.55) KDM4EALDH1A1POLBHTTL3MBTL1
SCHEMBL3387036 0.80 MGLL (0.49) OXTRKDM4EALDH1A1POLBMGLL
SCHEMBL3389898 0.79 HTR7 (0.54) L3MBTL1
SCHEMBL3388255 0.78 HTR7 (0.53) KDM4EALDH1A1POLBHTTL3MBTL1
SCHEMBL4995479 0.78 HTR7 (0.53) KDM4EALDH1A1POLBHTTL3MBTL1

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 368/4885KDM4E 1027/4885ALDH1A1 317/4885

“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.