SCHEMBL3002073

SCHEMBL3002073

COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.57
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
RORC P51449 1/20 0.46
SLC6A3 Q01959 6/20 0.46
SLC6A4 P31645 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 1/20 0.45
SLC6A2 P23975 3/20 0.45
MMP13 P45452 1/20 0.44

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
SCHEMBL4252019 1.00 PDE4B (0.57) PDE4BHDAC1HDAC2RORCSLC6A3
SCHEMBL4252028 1.00 PDE4B (0.57) PDE4BHDAC1HDAC2RORCSLC6A3
SCHEMBL3002077 1.00 PDE4B (0.57) PDE4BHDAC1HDAC2RORCSLC6A3
SCHEMBL951753 0.91 PDE4B (0.57) PDE4BSLC6A3SLC6A4TACR1SLC6A2
SCHEMBL16108580 0.91 PDE4B (0.57) PDE4BSLC6A3SLC6A4TACR1SLC6A2
SCHEMBL16108582 0.91 PDE4B (0.57) PDE4BSLC6A3SLC6A4TACR1SLC6A2
SCHEMBL18244756 0.91 PDE4B (0.57) PDE4BSLC6A3SLC6A4TACR1SLC6A2
SCHEMBL23951690 0.90 PDE4B (0.70) PDE4BHDAC1HDAC2RORCSLC6A3
SCHEMBL4006266 0.90 PDE4B (0.70) PDE4BHDAC1HDAC2RORCSLC6A3
SCHEMBL14498543 0.90 PDE4B (0.70) PDE4BHDAC1HDAC2RORCSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2391615-A1 Piperidine derivatives as nk3 receptor antagonists F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
WO-2010086259-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed
WO-2010086259-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 US disclosed
EP-1789389-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-05-30 EP disclosed
WO-2006030984-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-03-23 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 (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-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRL1 PDE4B 1062/4885HDAC1 2173/4885HDAC2 2706/4885
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same AVPR1B, PRLHR, HRH4 PDE4B 1273/4885HDAC1 671/4885HDAC2 321/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR PDE4B 1656/4885HDAC1 512/4885HDAC2 316/4885

“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.