SCHEMBL3701206

SCHEMBL3701206

CCCS(=O)(=O)N1CCN(c2ccc(F)cc2C)C(C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.39
SLC6A9 P48067 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
USP2 O75604 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.35
MC4R P32245 2/20 0.35
MC3R P41968 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL3701205 0.87 PRCP (0.40) PRCPHSD11B1ADAM17ADAMTS5
SCHEMBL4214246 0.78 SLC6A9 (0.48) SLC6A9SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3651943 0.75 GPR183 (0.46) HTTMEN1KMT2A
SCHEMBL4218214 0.74 CHRM1 (0.46) SMN1; SMN2HTTUSP2MEN1KMT2A
SCHEMBL3652582 0.73 TP53 (0.49) SMN1; SMN2HTTCYP1A2CYP2C9CYP2C19
SCHEMBL3651969 0.73 LMNA (0.52) SMN1; SMN2HTTUSP2THRB
SCHEMBL3652163 0.73 LMNA (0.49) SMN1; SMN2HTTUSP2MEN1KMT2A
SCHEMBL3651181 0.72 LMNA (0.47) SMN1; SMN2HTTUSP2THRB
SCHEMBL4215662 0.72 LMNA (0.47) SMN1; SMN2HTTUSP2THRB
SCHEMBL3648573 0.72 LMNA (0.51) SMN1; SMN2HTTUSP2

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 PRCP 2676/4885SLC6A9 4498/4885SMN1; SMN2 4668/4885

“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.