SCHEMBL3645392

SCHEMBL3645392

Cc1ccccc1[C@H]1CCN(S(C)(=O)=O)C[C@H]1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
POLB P06746 1/20 0.65
NPSR1 Q6W5P4 3/20 0.53
USP2 O75604 3/20 0.51
HTT P42858 3/20 0.51
AR P10275 3/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
AVPR1A P37288 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 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
SCHEMBL3646795 1.00 SMN1; SMN2 (0.65) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3652627 0.91 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3652717 0.91 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3652658 0.90 SMN1; SMN2 (0.66) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3645619 0.90 SMN1; SMN2 (0.66) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3653569 0.89 USP2 (0.56) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL13269945 0.89 USP2 (0.56) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3650375 0.89 USP2 (0.56) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3650956 0.89 USP2 (0.56) SMN1; SMN2POLBNPSR1USP2HTT
SCHEMBL3651413 0.86 HTT (0.71) SMN1; SMN2POLBNPSR1USP2HTT

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 SMN1; SMN2 4668/4885POLB 2115/4885NPSR1 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.