SCHEMBL3247741

SCHEMBL3247741

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
APP P05067 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
HTR1D P28221 6/20 0.47
HTR1B P28222 6/20 0.47
HTR1A P08908 3/20 0.47
HTR1F P30939 3/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL3239367 0.95 HRH3 (0.60) HRH3HTR1FKDM4EBRD4ALDH1A1
SCHEMBL3249663 0.91 KDM4E (0.57) HRH3HTR1FKDM4EBRD4ALDH1A1
SCHEMBL27746330 0.90 HRH3 (0.56) HRH3HTR1FKDM4EBRD4ALDH1A1
SCHEMBL3240701 0.90 HRH3 (0.57) HRH3APPKDM4EBRD4ALDH1A1
SCHEMBL3239237 0.89 HRH3 (0.58) HRH3HTR1F
SCHEMBL3245572 0.89 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3240674 0.89 HRH3 (0.60) HRH3ALDH1A1
SCHEMBL3244945 0.89 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3248778 0.88 HRH3 (0.54) HRH3HTR1FKDM4EBRD4ALDH1A1
SCHEMBL3242821 0.88 HRH3 (0.59) HRH3KDM4EBRD4ALDH1A1POLB

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-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 5/4885APP 3340/4885CYP1A2 246/4885

“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.