SCHEMBL3652159

SCHEMBL3652159

COc1cccc(S(=O)(=O)N2CC[C@H](c3ccccc3C)[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 6/20 0.46
USP2 O75604 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3645219 1.00 LMNA (0.46) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL3652686 1.00 LMNA (0.46) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL13987603 0.94 LMNA (0.47) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL3647992 0.91 LMNA (0.46) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL4218737 0.91 LMNA (0.46) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL3654573 0.91 LMNA (0.46) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL3647991 0.91 LMNA (0.46) LMNAUSP2L3MBTL1HTTALDH1A1
SCHEMBL3649109 0.89 USP2 (0.51) LMNAUSP2L3MBTL1HTTMAPT
SCHEMBL3646521 0.89 USP2 (0.51) LMNAUSP2L3MBTL1HTTMAPT
SCHEMBL9926059 0.87 LMNA (0.52) LMNAUSP2L3MBTL1ALDH1A1MAPT

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 8 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
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.