SCHEMBL4391767

SCHEMBL4391767

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(N(Cc3ccsc3)c3ccccc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.57
KCNH2 Q12809 5/20 0.57
GPR119 Q8TDV5 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3841552 0.90 CCR5 (0.69) CCR5KCNH2
SCHEMBL3844128 0.81 CCR5 (0.69) CCR5KCNH2
SCHEMBL4390881 0.80 CCR5 (0.53) CCR5KCNH2
SCHEMBL14024851 0.79 CCR5 (0.84) CCR5KCNH2
SCHEMBL4391766 0.79 ATM (0.44) CCR5GPR119
SCHEMBL4240462 0.78 GPR119 (0.54) CCR5GPR119MEN1KMT2A
SCHEMBL4236458 0.78 GPR119 (0.51) CCR5GPR119
SCHEMBL4243344 0.76 GPR119 (0.48) CCR5GPR119MEN1KMT2A
SCHEMBL4306735 0.75 KMT2A (0.57) CCR5KCNH2GPR119MEN1KMT2A
SCHEMBL4306307 0.75 MEN1 (0.57) GPR119MEN1KMT2A

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 4 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

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 2183/4885GPR119 167/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2095/4885GPR119 101/4885

“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.