SCHEMBL4386525

SCHEMBL4386525

CC(C)(C)OC(=O)N1CCC(N(c2ccccc2)c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP30 Q70CQ3 3/20 0.49
CCR5 P51681 1/20 0.47

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
SCHEMBL3837667 0.87 MEN1 (0.61) GPR119MEN1KMT2AUSP30CCR5
SCHEMBL1307415 0.85 GPR119 (0.60) GPR119MEN1KMT2AUSP30
SCHEMBL4390067 0.83 CCR5 (0.51) CCR5
SCHEMBL4039291 0.83 GPR119 (0.57) GPR119USP30
SCHEMBL18263728 0.81 MEN1 (0.72) GPR119MEN1KMT2AUSP30
SCHEMBL3841257 0.81 CCR5 (0.61) GPR119MEN1KMT2AUSP30CCR5
SCHEMBL18263756 0.81 MEN1 (0.60) GPR119MEN1KMT2AUSP30
SCHEMBL3842743 0.81 MEN1 (0.57) GPR119MEN1KMT2AUSP30
SCHEMBL23253200 0.81 GPR119 (0.54) GPR119MEN1KMT2AUSP30
SCHEMBL30423390 0.79 GPR119 (0.50) GPR119MEN1KMT2AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551827-B1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS NOVARTIS AG (CH) 2009-12-02 EP disclosed
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors NOVARTIS AG 2008-10-09 US disclosed
US-7399771-B2 Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2008-07-15 US disclosed
US-20060004047-A1 Piperidine derivatives as ccr5 inhibitors NOVARTIS AG (CH) 2006-01-05 US disclosed
EP-1551827-A1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS Novartis AG (CH) 2005-07-13 EP disclosed
WO-2004031172-A1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS NOVARTIS AG (CH) 2004-04-15 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-20060004047-A1 Piperidine derivatives as ccr5 inhibitors CCR5, CCR2, CCR1 GPR119 167/4885MEN1 4636/4885KMT2A 4164/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 GPR119 101/4885MEN1 4473/4885KMT2A 4091/4885

“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.