SCHEMBL4710969

SCHEMBL4710969

CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](COS(C)(=O)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
STS P08842 2/20 0.47
RORC P51449 1/20 0.46
GPR119 Q8TDV5 4/20 0.46
SCN9A Q15858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
USP30 Q70CQ3 3/20 0.44
USP7 Q93009 1/20 0.43
PDE4B Q07343 1/20 0.43
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
HCRTR2 O43614 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
SCHEMBL4005405 0.90 RORC (0.54) TACR1JAK2JAK1STSRORC
SCHEMBL6694621 0.90 SCN9A (0.49) TACR1RORCGPR119SCN9APDE4B
SCHEMBL5459736 0.90 SCN9A (0.49) TACR1RORCGPR119SCN9APDE4B
SCHEMBL18345004 0.90 SCN9A (0.49) TACR1RORCGPR119SCN9APDE4B
SCHEMBL4436548 0.90 SCN9A (0.49) TACR1RORCGPR119SCN9APDE4B
SCHEMBL4760197 0.90 SCN9A (0.49) TACR1RORCGPR119SCN9APDE4B
SCHEMBL29450269 0.89 STS (0.49) STSGPR119SCN9APDE4B
SCHEMBL18618417 0.89 STS (0.49) STSGPR119SCN9APDE4B
SCHEMBL18618432 0.89 STS (0.49) STSGPR119SCN9APDE4B
SCHEMBL18619384 0.87 PDE4B (0.47) TACR1JAK2STSGPR119SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966137-A2 PIPERIDINE DERIVATIVES Pfizer Products Inc. (US) 2008-09-10 EP disclosed
WO-2007072150-A2 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070142389-A1 PIPERIDINE DERIVATIVES PFIZER INC. (US) 2007-06-21 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-20070142389-A1 PIPERIDINE DERIVATIVES CFTR, HDAC10, RPP30 TACR1 98/4885JAK2 21/4885JAK1 434/4885

“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.