SCHEMBL3689998

SCHEMBL3689998

Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(S(=O)(=O)c3cccc4ccccc34)CCN2c2ccc(F)cc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
THRB P10828 1/20 0.46
AR P10275 3/20 0.45
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.44
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
GPR183 P32249 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
SCHEMBL3692614 0.95 MAPT (0.47) MAPTTP53SMN1; SMN2THRBAR
SCHEMBL3693526 0.92 MAPT (0.49) MAPTTP53SMN1; SMN2LMNAUSP2
SCHEMBL3646536 0.91 SMN1; SMN2 (0.50) MAPTTP53SMN1; SMN2THRBAR
SCHEMBL3693071 0.88 ALDH1A1 (0.53) MAPTTP53SMN1; SMN2THRBAR
SCHEMBL3651969 0.87 LMNA (0.52) MAPTTP53SMN1; SMN2THRBAR
SCHEMBL3651617 0.86 CNR1 (0.45) MAPTTP53SMN1; SMN2THRBAR
SCHEMBL3651385 0.85 MAPT (0.50) MAPTTP53SMN1; SMN2THRBLMNA
SCHEMBL27784664 0.85 AR (0.41) MAPTTP53SMN1; SMN2THRBAR
SCHEMBL3691342 0.83 MAPK1 (0.51) MAPTTP53SMN1; SMN2THRBLMNA
SCHEMBL3648573 0.82 LMNA (0.51) MAPTTP53SMN1; SMN2ARLMNA

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 MAPT 4226/4885TP53 4351/4885SMN1; 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.