SCHEMBL3249148

SCHEMBL3249148

COc1ccc(C(=O)N2CCCC(c3c[nH]c4cc(C(=O)N5CCN(C(C)C)CC5)ccc34)C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
TLR9 Q9NR96 2/20 0.49
TLR8 Q9NR97 2/20 0.49
TLR7 Q9NYK1 2/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PDE2A O00408 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD11B1 P28845 1/20 0.45
ROCK2 O75116 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL3243908 0.87 HRH3 (0.58) HRH3MTNR1AMTNR1BHSD11B1
SCHEMBL3243916 0.87 HRH3 (0.54) HRH3KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL3238711 0.86 HRH3 (0.53) HRH3MTNR1AMTNR1BPDE2AHSD11B1
SCHEMBL3238692 0.86 HRH3 (0.53) HRH3MTNR1AMTNR1B
SCHEMBL3242788 0.86 HRH3 (0.53) HRH3MTNR1AMTNR1BHSD11B1
SCHEMBL3243552 0.84 HRH3 (0.51) HRH3KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL3243212 0.84 HRH3 (0.51) HRH3MTNR1AMTNR1BPDE2APDE3A
SCHEMBL3243066 0.84 EPHX2 (0.52) HRH3MTNR1AMTNR1BHSD11B1
SCHEMBL3242758 0.84 HRH3 (0.55) HRH3TLR9TLR8TLR7MTNR1A
SCHEMBL3242779 0.84 HRH3 (0.55) HRH3TLR9TLR8TLR7MTNR1A

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 5/4885TLR9 1143/4885TLR8 1234/4885

“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.