SCHEMBL13060447

SCHEMBL13060447

COC(=O)c1sc(C(F)(F)F)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
GPR119 Q8TDV5 7/20 0.46
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
EZH2 Q15910 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
EPHX2 P34913 1/20 0.43
STS P08842 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
TOP2A P11388 1/20 0.40

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
SCHEMBL31078714 0.85 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL31078515 0.85 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL14624556 0.85 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL13060409 0.83 GPR119 (0.51) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL13060192 0.83 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL13060448 0.82 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL13003959 0.81 SCD (0.36) PDE4DEPHX2ALDH1A1
SCHEMBL15028344 0.78 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL13060217 0.76 GPR119 (0.44) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL21821040 0.76 KDM1A (0.54) PDE4DPDE4BPDE4APDE4CGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 US disclosed
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 US disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 US disclosed
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 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 (2 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-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 PDE4D 4824/4885PDE4B 4732/4885PDE4A 4692/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 PDE4D 4824/4885PDE4B 4732/4885PDE4A 4692/4885

“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.