SCHEMBL3249393

SCHEMBL3249393

Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(O[C@H]5C[C@H]6CC[C@@H](C5)N6C(C)C)ccc4n3C(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
CYP2D6 P10635 1/20 0.53
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL3249398 1.00 HRH3 (0.53) HRH3CYP2D6GAALMNANPC1
SCHEMBL3249268 0.94 HRH3 (0.53) HRH3CYP2D6LMNAALDH1A1L3MBTL1
SCHEMBL3249265 0.94 HRH3 (0.53) HRH3CYP2D6LMNAALDH1A1L3MBTL1
SCHEMBL3243452 0.93 HRH3 (0.54) HRH3CYP2D6GAALMNAKMT2A
SCHEMBL3264322 0.93 HRH3 (0.54) HRH3CYP2D6GAALMNAKMT2A
SCHEMBL3243454 0.93 HRH3 (0.54) HRH3CYP2D6GAALMNAKMT2A
SCHEMBL3251114 0.91 HRH3 (0.51) HRH3CYP2D6LMNAALDH1A1
SCHEMBL3261448 0.91 HRH3 (0.51) HRH3CYP2D6LMNAALDH1A1
SCHEMBL3251116 0.91 HRH3 (0.51) HRH3CYP2D6LMNAALDH1A1
SCHEMBL3245882 0.91 HRH3 (0.53) HRH3CYP2D6GAALMNAKMT2A

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 357/4885GAA 4502/4885

“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.