SCHEMBL3654573

SCHEMBL3654573

COc1cccc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
USP2 O75604 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 3/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
AR P10275 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL3647991 1.00 LMNA (0.46) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL4218737 1.00 LMNA (0.46) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL3647992 1.00 LMNA (0.46) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL9926063 0.94 LMNA (0.48) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL4849270 0.94 LMNA (0.48) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL4849442 0.94 LMNA (0.48) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL4847578 0.94 LMNA (0.48) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL4849508 0.94 LMNA (0.48) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL3652686 0.91 LMNA (0.46) LMNAUSP2L3MBTL1MAPTSMN1; SMN2
SCHEMBL3645219 0.91 LMNA (0.46) LMNAUSP2L3MBTL1MAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP claimed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US claimed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP claimed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO claimed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US claimed
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP disclosed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO disclosed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 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-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES NR1H2, NR1H3, NR1I2 LMNA 2374/4885USP2 3876/4885L3MBTL1 3543/4885

“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.