SCHEMBL3239279

SCHEMBL3239279

COc1ccc(N2CCC(c3c[nH]c4cc(C(=O)N5CCN(C(C)C)CC5)ccc34)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
POLB P06746 3/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.44
HTT P42858 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
SCHEMBL3239263 0.88 HRH3 (0.51) HRH3POLBKMT2AALDH1A1MEN1
SCHEMBL3239367 0.87 HRH3 (0.60) HRH3POLBALDH1A1KDM4E
SCHEMBL3247741 0.84 HRH3 (0.57) HRH3POLBALDH1A1MAPTKDM4E
SCHEMBL3249663 0.83 KDM4E (0.57) HRH3POLBALDH1A1KDM4E
SCHEMBL27746330 0.82 HRH3 (0.56) HRH3POLBALDH1A1KDM4E
SCHEMBL3240701 0.82 HRH3 (0.57) HRH3POLBALDH1A1KDM4E
SCHEMBL3244002 0.82 HRH3 (0.50) HRH3ALDH1A1MAPTLMNATP53
SCHEMBL3245572 0.82 HRH3 (0.57) HRH3POLBALDH1A1KDM4EHTT
SCHEMBL3240674 0.82 HRH3 (0.60) HRH3ALDH1A1SMN1; SMN2
SCHEMBL3244945 0.82 HRH3 (0.57) HRH3POLBALDH1A1KDM4EHTT

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
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
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US 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 5/4885POLB 3611/4885KMT2A 779/4885

“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.