SCHEMBL4251643

SCHEMBL4251643

CNC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
CES2 O00748 1/20 0.39
XPO1 O14980 2/20 0.37
IDO1 P14902 2/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 1/20 0.33
AR P10275 1/20 0.33
TACR1 P25103 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 1/20 0.32
P2RX1 P51575 1/20 0.32

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
SCHEMBL14493273 0.89 TSHR (0.41) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL14619251 0.82 TSHR (0.47) MAPTRAPGEF4CES2ALDH1A1P2RX1
SCHEMBL13452417 0.80 KIF11 (0.50) HDAC3HDAC1HDAC2HDAC6CES2
SCHEMBL8714229 0.78 HDAC3 (0.46) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL5745690 0.76 MAPT (0.41) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL4860433 0.75 SLC6A3 (0.33) RAPGEF4
SCHEMBL440959 0.74 CES2 (0.58) MAPTRAPGEF4CES2XPO1IDO1
SCHEMBL13949254 0.73 HDAC3 (0.40) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL16234266 0.73 CES2 (0.46) MAPTRAPGEF4CES2XPO1IDO1
SCHEMBL22861023 0.73 GABRB2 (0.52) MAPTRAPGEF4CES2XPO1IDO1

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 12 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-7390905-B2 Piperidine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-24 US disclosed
US-7390905-B2 Piperidine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-24 US disclosed
US-7390905-B2 Piperidine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-24 US disclosed
US-20070112029-A1 Piperidine compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112029-A1 Piperidine compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112029-A1 Piperidine compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-05-17 US disclosed
EP-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 EP disclosed
EP-1693367-A1 PIPERIDINE COMPOUND AND METHOD FOR PRODUCING SAME TANABE SEIYAKU CO., LTD. (JP) 2006-08-23 EP 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-20070112029-A1 Piperidine compound and process for preparing the same NPSR1, TACR1, PRLHR MAPT 4605/4885HDAC3 518/4885HDAC1 503/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR MAPT 4302/4885HDAC3 448/4885HDAC1 512/4885

“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.