SCHEMBL4385233

SCHEMBL4385233

Cc1nc(CN(c2ccc3c(c2)OCO3)C2CCN(C3(C)CCNCC3)CC2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.50
KCNH2 Q12809 4/20 0.50
CLK1 P49759 2/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
DYRK1A Q13627 2/20 0.39
PIP4K2C Q8TBX8 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
PIK3C2B O00750 1/20 0.39
PIK3C2G O75747 1/20 0.39
PIK3CG P48736 1/20 0.39
MAP2K5 Q13163 1/20 0.39
MAP3K19 Q56UN5 1/20 0.39
MAPK15 Q8TD08 1/20 0.39
DYRK2 Q92630 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3839041 0.85 CCR5 (0.66) CCR5KCNH2
SCHEMBL4392125 0.84 CCR5 (0.54) CCR5KCNH2SMN1; SMN2SLC6A4ALDH1A1
SCHEMBL3841388 0.84 CCR5 (0.64) CCR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4394652 0.82 CCR5 (0.79) CCR5KCNH2
SCHEMBL4391719 0.81 CCR5 (0.50) CCR5KCNH2LMNASLC6A2SLC6A4
SCHEMBL6736176 0.68 CCR5 (0.76) CCR5KCNH2
SCHEMBL3840733 0.67 CCR5 (1.00) CCR5KCNH2
SCHEMBL4386745 0.67 CCR5 (0.65) CCR5KCNH2
SCHEMBL4388736 0.65 CCR5 (0.72) CCR5KCNH2
SCHEMBL4387763 0.65 CCR5 (0.80) CCR5KCNH2

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 CCR5 1/4885KCNH2 2183/4885CLK1 3709/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2095/4885CLK1 3809/4885

“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.