SCHEMBL3244945

SCHEMBL3244945

CC(C)N1CCN(C(=O)c2ccc3c(C4CCN(C5CCCC5)CC4)c[nH]c3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.57
HTT P42858 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CNR1 P21554 1/20 0.42
CHRNA7 P36544 1/20 0.42
PARP1 P09874 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
SCHEMBL3245572 0.98 HRH3 (0.57) HRH3HTTL3MBTL3L3MBTL1CNR2
SCHEMBL3236043 0.96 HRH3 (0.55) HRH3HTTL3MBTL3L3MBTL1CNR2
SCHEMBL3239367 0.92 HRH3 (0.60) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3242758 0.92 HRH3 (0.55) HRH3HTTL3MBTL3L3MBTL1CNR2
SCHEMBL3244999 0.91 HRH3 (0.60) HRH3HTTL3MBTL3L3MBTL1KDM4E
SCHEMBL3241196 0.90 HRH3 (0.62) HRH3HTTL3MBTL3L3MBTL1KDM4E
SCHEMBL3242779 0.90 HRH3 (0.55) HRH3HTTL3MBTL3L3MBTL1CNR2
SCHEMBL3247741 0.89 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3249663 0.88 KDM4E (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3248778 0.87 HRH3 (0.54) HRH3CNR2KDM4EBRD4ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
CN-101490039-A 1H-indol-6-yl-piperazin-1-yl-methanone-derivatives for use as H3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-07-22 CN claimed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP claimed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US claimed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US claimed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 WO claimed
EP-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
CN-101490039-A 1H-indol-6-yl-piperazin-1-yl-methanone-derivatives for use as H3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-07-22 CN disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 WO 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-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HTR6, HTR1A, HRH4 HRH3 5/4885HTT 843/4885L3MBTL3 3513/4885

“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.