SCHEMBL3691981

SCHEMBL3691981

CCCS(=O)(=O)N1CC[C@H](c2ccccc2)[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
AR P10275 5/20 0.52
USP2 O75604 4/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3652658 0.89 SMN1; SMN2 (0.66) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3645619 0.89 SMN1; SMN2 (0.66) SMN1; SMN2POLBARUSP2HTT
SCHEMBL4218550 0.87 SMN1; SMN2 (0.49) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3691978 0.86 SMN1; SMN2 (0.55) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3654931 0.85 USP2 (0.57) SMN1; SMN2POLBARUSP2HTT
SCHEMBL13269898 0.85 USP2 (0.57) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3652551 0.85 USP2 (0.57) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3652555 0.85 USP2 (0.57) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3653249 0.85 SMN1; SMN2 (0.50) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3692588 0.82 HTT (0.72) SMN1; SMN2POLBARUSP2HTT

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 SMN1; SMN2 4668/4885POLB 2115/4885AR 363/4885

“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.