SCHEMBL3247449

SCHEMBL3247449

CCCS(=O)(=O)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)c(Br)cc3n2C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.49
CYP2D6 P10635 1/20 0.49
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3244361 0.95 HRH3 (0.51) HRH3CYP2D6IKBKB
SCHEMBL3246548 0.89 HRH3 (0.52) HRH3CYP2D6IKBKB
SCHEMBL3240758 0.88 HRH3 (0.51) HRH3CYP2D6IKBKB
SCHEMBL3250410 0.88 HRH3 (0.51) HRH3CYP2D6
SCHEMBL3248249 0.87 HRH3 (0.50) HRH3CYP2D6
SCHEMBL3241037 0.87 HRH3 (0.50) HRH3CYP2D6
SCHEMBL3252300 0.86 HRH3 (0.51) HRH3CYP2D6IKBKB
SCHEMBL3250572 0.85 HRH3 (0.55) HRH3CYP2D6IKBKB
SCHEMBL3247969 0.85 HRH3 (0.68) HRH3CYP2D6
SCHEMBL3248817 0.84 HRH3 (0.54) HRH3CYP2D6IKBKB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118089-B1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-12 EP claimed
EP-2118089-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-11-18 EP claimed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO claimed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US claimed
EP-2118089-B1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
EP-2118089-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 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-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885CYP2D6 357/4885IKBKB 2664/4885

“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.