SCHEMBL3253208

SCHEMBL3253208

CC(C)N1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3c(c1)cc(C(=O)N1CCN(S(=O)(=O)C(C)C)CC1)n3C(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.58
CYP2D6 P10635 1/20 0.58
PARP1 P09874 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
SCHEMBL3253205 1.00 HRH3 (0.58) HRH3CYP2D6PARP1
SCHEMBL3247432 0.92 HRH3 (0.57) HRH3CYP2D6
SCHEMBL3247436 0.92 HRH3 (0.57) HRH3CYP2D6
SCHEMBL3240798 0.89 HRH3 (0.73) HRH3CYP2D6
SCHEMBL3253212 0.89 HRH3 (0.54) HRH3CYP2D6
SCHEMBL3243454 0.89 HRH3 (0.54) HRH3CYP2D6
SCHEMBL3264322 0.89 HRH3 (0.54) HRH3CYP2D6
SCHEMBL3243452 0.89 HRH3 (0.54) HRH3CYP2D6
SCHEMBL4262287 0.89 HRH3 (0.54) HRH3CYP2D6
SCHEMBL3249393 0.88 HRH3 (0.53) HRH3CYP2D6

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 3 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 disclosed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US 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 357/4885PARP1 1741/4885

“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.