SCHEMBL641049

SCHEMBL641049

O=C(O)C1CC(c2cccc(OC(F)(F)F)c2)CN(C(=O)N2CCC(O)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
F2R P25116 4/20 0.46
HSD11B1 P28845 1/20 0.42
MGLL Q99685 4/20 0.41
BCL9 O00512 3/20 0.41
CTNNB1 P35222 3/20 0.41
CNR1 P21554 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HCRTR2 O43614 3/20 0.39
FFAR4 Q5NUL3 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL640578 0.90 F2R (0.45) NOTUMF2RHSD11B1MGLLBCL9
SCHEMBL641146 0.90 F2R (0.58) NOTUMF2RHSD11B1MGLLBCL9
SCHEMBL642568 0.88 NOTUM (0.47) NOTUMF2RMGLLBCL9CTNNB1
SCHEMBL641909 0.88 F2R (0.54) NOTUMF2RHSD11B1MGLLCNR1
SCHEMBL1581238 0.87 F2R (0.44) NOTUMF2RHSD11B1MGLLBCL9
SCHEMBL642685 0.85 F2R (0.55) NOTUMF2R
SCHEMBL27819196 0.84 HCRTR2 (0.42) NOTUMF2RHSD11B1MGLLBCL9
SCHEMBL642019 0.83 F2R (0.51) NOTUMF2RHSD11B1MGLLCNR1
SCHEMBL642891 0.83 F2R (0.45) NOTUMF2RMGLLCNR1TMEM97
SCHEMBL1581140 0.82 F2R (0.43) NOTUMF2RHSD11B1MGLLBCL9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932577-B Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2013-07-17 CN disclosed
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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
CN-101932577-A Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2010-12-29 CN disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP 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
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 NOTUM 2328/4885F2R 698/4885HSD11B1 1919/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 NOTUM 2328/4885F2R 698/4885HSD11B1 1919/4885

“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.