SCHEMBL4251045

SCHEMBL4251045

COC(=O)c1ccncc1-c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.50
ALPL P05186 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CYP46A1 Q9Y6A2 1/20 0.45
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYP11B2 P19099 2/20 0.43
CFTR P13569 1/20 0.42
CYP11B1 P15538 1/20 0.42
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
RPS6KB1 P23443 2/20 0.41
CSNK1D P48730 2/20 0.41
DYRK1A Q13627 2/20 0.41
AURKB Q96GD4 2/20 0.41
PLK4 O00444 1/20 0.41

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
SCHEMBL4258090 0.88 L3MBTL1 (0.52) L3MBTL1ALDH1A1ALPLKDM4EGLA
SCHEMBL30292707 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL30292704 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL29276904 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL4251420 0.81 SLC6A3 (0.63) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL21056912 0.80 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL4242649 0.80 SLC6A3 (0.65) L3MBTL1ALDH1A1ALPLKDM4ESLC6A4
SCHEMBL21056841 0.80 TGFBR1 (0.56) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL31083379 0.80 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL1329736 0.77 KDM4E (0.64) L3MBTL1ALDH1A1KDM4EGLAGAA

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 5 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
EP-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 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 (1 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-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR L3MBTL1 4431/4885ALDH1A1 2868/4885ALPL 4796/4885

“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.