SCHEMBL4407576

SCHEMBL4407576

Cc1cc(F)ccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
MC4R P32245 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL1971268 1.00 TACR1 (0.48) TACR1CYP3A4CYP2D6MC4RMEN1
SCHEMBL4408589 1.00 TACR1 (0.48) TACR1CYP3A4CYP2D6MC4RMEN1
SCHEMBL5005980 1.00 TACR1 (0.48) TACR1CYP3A4CYP2D6MC4RMEN1
SCHEMBL4153158 1.00 TACR1 (0.48) TACR1CYP3A4CYP2D6MC4RMEN1
SCHEMBL4408595 1.00 TACR1 (0.48) TACR1CYP3A4CYP2D6MC4RMEN1
SCHEMBL3811657 0.92 TACR1 (0.45) TACR1CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4410764 0.91 MC4R (0.49) MC4RMEN1KMT2AGPR119SMN1; SMN2
SCHEMBL4414387 0.91 MC4R (0.49) MC4RMEN1KMT2AGPR119SMN1; SMN2
SCHEMBL4938875 0.91 MC4R (0.49) MC4RMEN1KMT2AGPR119SMN1; SMN2
SCHEMBL4252177 0.90 TACR1 (0.51) TACR1CYP3A4CYP2D6GPR119CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 EP disclosed
WO-2006030984-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-03-23 WO disclosed
WO-2006004195-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-01-12 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-20070244158-A1 Piperdine Compound and Process for Preparing the Same AVPR1B, PRLHR, HRH4 TACR1 12/4885CYP3A4 901/4885CYP2D6 1455/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR TACR1 6/4885CYP3A4 1012/4885CYP2D6 1957/4885

“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.