SCHEMBL1146975

SCHEMBL1146975

COc1ccccc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HTR1A P08908 3/20 0.45
HTR7 P34969 3/20 0.45
PDE4B Q07343 1/20 0.45
PDE7A Q13946 1/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD11B1 P28845 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ELOVL6 Q9H5J4 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL1147386 0.88 KDM4E (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1146709 0.87 KMT2A (0.55) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1147175 0.87 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1146720 0.87 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1147162 0.86 HSD11B1 (0.46) MAPTHSD11B1
SCHEMBL1147337 0.86 FAAH (0.52) MAPTMEN1KMT2AHSD11B1MAPK1
SCHEMBL1146218 0.86 HSD11B1 (0.44) MAPTMEN1KMT2AHSD11B1
SCHEMBL15387461 0.86 MAPT (0.46) MAPTHTR1AHTR7PDE4BPDE7A
SCHEMBL1146710 0.85 CHRNB2 (0.50) MAPTALDH1A1POLBSMN1; SMN2PKM
SCHEMBL1147276 0.82 KMT2A (0.57) MAPTALDH1A1POLBSMN1; SMN2MEN1

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 MAPT 2319/4885HTR1A 71/4885HTR7 851/4885

“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.