SCHEMBL1147481

SCHEMBL1147481

CCCCc1ccc(S(=O)(=O)N2CCC(N)(C(=O)Nc3ccc(CC)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SCN3A Q9NY46 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL1147347 0.92 TP53 (0.53) SMN1; SMN2LMNAPOLBTP53ALDH1A1
SCHEMBL12874959 0.89 SCN3A (0.51) LMNAPOLBTP53ALDH1A1SCN3A
SCHEMBL12875164 0.88 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1147507 0.88 MEN1 (0.53) LMNATP53ALDH1A1KMT2A
SCHEMBL1147319 0.87 MEN1 (0.54) LMNAALDH1A1KMT2AHSD11B1
SCHEMBL15387631 0.86 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1147229 0.85 KDM4E (0.55) SMN1; SMN2LMNAPOLBALDH1A1KDM4E
SCHEMBL1146918 0.84 MAPT (0.43) CA12CA1CA2CA9LMNA
SCHEMBL11888858 0.83 SMN1; SMN2 (0.54) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1147275 0.83 EPHX2 (0.49) CA12CA1CA2CA9SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO 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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 CA12 4614/4885CA1 4071/4885CA2 1949/4885

“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.