SCHEMBL3243564

SCHEMBL3243564

CC(C)CN1CCC(c2cn(-c3cccc(C(F)(F)F)c3)c3cc(C(=O)N4CCN(C(C)C)CC4)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.47
TNFSF11 O14788 1/20 0.46
RBP4 P02753 1/20 0.43
CCR2 P41597 2/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3249046 0.92 EPHX2 (0.46) EPHX2HRH3
SCHEMBL3239252 0.87 HRH3 (0.43) HRH3
SCHEMBL3238665 0.86 HRH3 (0.44) HRH3
SCHEMBL3238714 0.86 HRH3 (0.43) HRH3
SCHEMBL3245125 0.86 EPHX2 (0.47) EPHX2HRH3
SCHEMBL3243905 0.85 HRH3 (0.42) ALDH1A1HRH3
SCHEMBL3244114 0.84 CYP2D6 (0.46) HPGDHRH3
SCHEMBL3242464 0.83 HRH3 (0.42) ALDH1A1KMT2AHRH3MAPT
SCHEMBL3245132 0.83 PRKAA2 (0.44) HRH3
SCHEMBL3244946 0.81 HRH3 (0.47) HRH3

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 12 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 claimed
CN-101490039-A 1H-indol-6-yl-piperazin-1-yl-methanone-derivatives for use as H3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-07-22 CN claimed
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 claimed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US claimed
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 claimed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US claimed
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
CN-101490039-A 1H-indol-6-yl-piperazin-1-yl-methanone-derivatives for use as H3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-07-22 CN 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 TNF 3999/4885TNFSF11 2895/4885RBP4 3286/4885

“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.