SCHEMBL2685066

SCHEMBL2685066

CC(C)[Si](O[C@@H]1CN(C(=O)O)C[C@H](O)[C@H]1c1ccc(OS(=O)(=O)C(F)(F)F)cc1)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
CXCR2 P25025 2/20 0.36
CXCR1 P25024 1/20 0.36
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA4 P22748 1/20 0.32
HSD11B1 P28845 1/20 0.30
CHRM1 P11229 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL2338996 0.86 RORC (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL3905395 0.85 PAX8 (0.36)
SCHEMBL2684431 0.79 TSHR (0.36)
SCHEMBL5281026 0.79 TSHR (0.36)
SCHEMBL3914447 0.79 ACACB (0.35)
SCHEMBL3943583 0.79 KDM4E (0.34)
SCHEMBL3908901 0.78
SCHEMBL3912300 0.73 KDM4E (0.30)
SCHEMBL3912312 0.73
SCHEMBL3061810 0.71 DRD2 (0.46) DRD2DRD4DRD3DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 WO disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (4 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ DRD2 330/4885DRD4 453/4885DRD3 272/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 DRD2 408/4885DRD4 346/4885DRD3 203/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 DRD2 383/4885DRD4 326/4885DRD3 192/4885
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE DRD2 283/4885DRD4 147/4885DRD3 280/4885

“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.