SCHEMBL3239263

SCHEMBL3239263

COc1ccc(N2CCC(c3c[nH]c4cc(C(=O)N5CCN(C6CCCC6)CC5)ccc34)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD11B1 P28845 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3239279 0.88 HRH3 (0.51) HRH3KDM4EKMT2AALDH1A1HSD11B1
SCHEMBL3244999 0.86 HRH3 (0.60) HRH3KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3241196 0.85 HRH3 (0.62) HRH3KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3245498 0.82 HRH3 (0.49) HRH3KDM4ETDP1KMT2AALDH1A1
SCHEMBL3236043 0.82 HRH3 (0.55) HRH3KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3244778 0.81 HRH3 (0.54) HRH3ALDH1A1PKM
SCHEMBL3243051 0.81 HRH3 (0.57) HRH3KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3236063 0.80 DRD2 (0.58) HRH3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL3244945 0.80 HRH3 (0.57) HRH3KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3244096 0.79 HRH3 (0.56) HRH3L3MBTL1SMN1; SMN2

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 5/4885KDM4E 1083/4885TDP1 2860/4885

“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.