SCHEMBL3242974

SCHEMBL3242974

O=C(c1ccc2c(C3CCN(CC(F)F)CC3)c[nH]c2c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
HTT P42858 2/20 0.48
ADRA1D P25100 2/20 0.46
DRD2 P14416 2/20 0.45
SLC6A4 P31645 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1D P28221 3/20 0.43
HTR1B P28222 2/20 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
SCHEMBL3244096 0.92 HRH3 (0.56) HRH3HTTDRD2SLC6A4L3MBTL3
SCHEMBL3244999 0.89 HRH3 (0.60) HRH3HTTL3MBTL3L3MBTL1
SCHEMBL3241196 0.88 HRH3 (0.62) HRH3HTTL3MBTL3L3MBTL1
SCHEMBL3236063 0.87 DRD2 (0.58) HRH3HTTADRA1DDRD2SLC6A4
SCHEMBL3239210 0.87 HRH3 (0.58) HRH3ADRA1DDRD2SLC6A4HTR2A
SCHEMBL3236043 0.85 HRH3 (0.55) HRH3HTTL3MBTL3L3MBTL1
SCHEMBL3244778 0.84 HRH3 (0.54) HRH3HTTADRA1DDRD2SLC6A4
SCHEMBL3243051 0.84 HRH3 (0.57) HRH3HTTL3MBTL3L3MBTL1
SCHEMBL3244945 0.83 HRH3 (0.57) HRH3HTTL3MBTL3L3MBTL1
SCHEMBL3245572 0.81 HRH3 (0.57) HRH3HTTL3MBTL3L3MBTL1

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-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
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 843/4885ADRA1D 24/4885

“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.