SCHEMBL3249268

SCHEMBL3249268

COc1ccc(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 8/20 0.53
CYP2D6 P10635 1/20 0.53
PKM P14618 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
DNMT1 P26358 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3249265 1.00 HRH3 (0.53) HRH3CYP2D6PKMALDH1A1LMNA
SCHEMBL3249398 0.94 HRH3 (0.53) HRH3CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL3249393 0.94 HRH3 (0.53) HRH3CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL3264322 0.93 HRH3 (0.54) HRH3CYP2D6ALDH1A1LMNA
SCHEMBL3243452 0.93 HRH3 (0.54) HRH3CYP2D6ALDH1A1LMNA
SCHEMBL3243454 0.93 HRH3 (0.54) HRH3CYP2D6ALDH1A1LMNA
SCHEMBL3251114 0.91 HRH3 (0.51) HRH3CYP2D6ALDH1A1LMNA
SCHEMBL3251116 0.91 HRH3 (0.51) HRH3CYP2D6ALDH1A1LMNA
SCHEMBL3261448 0.91 HRH3 (0.51) HRH3CYP2D6ALDH1A1LMNA
SCHEMBL3245882 0.91 HRH3 (0.53) HRH3CYP2D6LMNASMN1; 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 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 357/4885PKM 812/4885

“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.