SCHEMBL3701253

SCHEMBL3701253

Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3cccnc3)CC[C@H]2c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.69
USP2 O75604 3/20 0.69
NPSR1 Q6W5P4 1/20 0.69
AR P10275 3/20 0.60
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.47
NAMPT P43490 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3692588 0.93 HTT (0.72) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3696317 0.93 HTT (0.72) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3646972 0.91 AR (0.64) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3652654 0.91 AR (0.64) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3646966 0.91 AR (0.64) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3700920 0.90 HTT (0.66) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3689553 0.90 HTT (0.66) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3689554 0.90 HTT (0.66) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL3651413 0.88 HTT (0.71) HTTUSP2NPSR1ARSMN1; SMN2
SCHEMBL4219683 0.88 HTT (0.71) HTTUSP2NPSR1ARSMN1; 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 HTT 4339/4885USP2 3876/4885NPSR1 109/4885

“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.