SCHEMBL4218558

SCHEMBL4218558

Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CN(S(=O)(=O)C(C)C)CC[C@H]2c2cccc(C)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.51
AR P10275 3/20 0.50
USP2 O75604 3/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AVPR1A P37288 3/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4218553 1.00 SMN1; SMN2 (0.51) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3653253 0.89 SMN1; SMN2 (0.51) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3653246 0.89 SMN1; SMN2 (0.51) SMN1; SMN2POLBARUSP2HTT
SCHEMBL4218548 0.87 SMN1; SMN2 (0.50) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3691978 0.86 SMN1; SMN2 (0.55) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3646795 0.82 SMN1; SMN2 (0.65) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3645392 0.82 SMN1; SMN2 (0.65) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3650375 0.80 USP2 (0.56) SMN1; SMN2POLBARUSP2HTT
SCHEMBL13269945 0.80 USP2 (0.56) SMN1; SMN2POLBARUSP2HTT
SCHEMBL3653569 0.80 USP2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2115/4885AR 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.