SCHEMBL640671

SCHEMBL640671

COC(=O)C1CC(c2ccc(OC(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.48
PDE4B Q07343 4/20 0.45
GPR119 Q8TDV5 1/20 0.45
F2R P25116 4/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
RORC P51449 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL643046 0.90 LIPE (0.49) LIPEPDE4BGPR119F2RKCNH2
SCHEMBL20757381 0.87 LIPE (0.56) LIPEPDE4BGPR119F2RKCNH2
SCHEMBL642248 0.87 MAPT (0.49) PDE4BGPR119F2RRORCALDH1A1
SCHEMBL1053954 0.85 PDE4B (0.48) LIPEPDE4BSCN9ARORCEPHX2
SCHEMBL23390177 0.84 F2R (0.49) LIPEF2RKCNH2SCN5ASCN9A
SCHEMBL23390176 0.84 F2R (0.49) LIPEF2RKCNH2SCN5ASCN9A
SCHEMBL23390179 0.84 F2R (0.49) LIPEF2RKCNH2SCN5ASCN9A
SCHEMBL23390124 0.84 RORC (0.49) PDE4BGPR119F2RRORCKDM4E
SCHEMBL31435444 0.84 RORC (0.49) PDE4BGPR119F2RRORCKDM4E
SCHEMBL12719919 0.84 LIPE (0.44) LIPEF2REPHX2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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 (3 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 LIPE 1353/4885PDE4B 1212/4885GPR119 252/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 LIPE 1353/4885PDE4B 1212/4885GPR119 252/4885
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines VHL, TNNI3, PTGIS LIPE 3073/4885PDE4B 173/4885GPR119 405/4885

“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.