SCHEMBL3244002

SCHEMBL3244002

COc1cccc(N2CCCC(c3c[nH]c4cc(C(=O)N5CCN(C(C)C)CC5)ccc34)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HSD11B1 P28845 2/20 0.47
MAPT P10636 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
GHSR Q92847 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3239345 0.88 HRH3 (0.47) HRH3SLC6A4
SCHEMBL3243908 0.84 HRH3 (0.58) HRH3MTNR1AMTNR1BHSD11B1
SCHEMBL3244966 0.83 HRH3 (0.49) HRH3
SCHEMBL3249148 0.83 HRH3 (0.51) HRH3MTNR1AMTNR1BHSD11B1KDM4E
SCHEMBL3242758 0.82 HRH3 (0.55) HRH3MTNR1AMTNR1BHTT
SCHEMBL3242779 0.82 HRH3 (0.55) HRH3MTNR1AMTNR1BHTT
SCHEMBL3239279 0.82 HRH3 (0.51) HRH3HSD11B1MAPTTHRBTP53
SCHEMBL3242366 0.80 HRH3 (0.57) HRH3MTNR1AMTNR1BHSD11B1THRB
SCHEMBL3238698 0.80 HRH3 (0.61) HRH3MTNR1AMTNR1B
SCHEMBL3243916 0.80 HRH3 (0.54) HRH3MTNR1AMTNR1BHSD11B1KDM4E

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 5/4885MTNR1A 4/4885MTNR1B 19/4885

“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.