SCHEMBL4390067

SCHEMBL4390067

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.51
CYP3A4 P08684 4/20 0.46
KCNH2 Q12809 2/20 0.42
OPRD1 P41143 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4386525 0.83 GPR119 (0.56) CCR5
SCHEMBL4118965 0.82 JAK2 (0.46) CCR5OPRD1ALDH1A1SMN1; SMN2TRPM8
SCHEMBL28613535 0.76 CYP3A4 (0.54) CCR5CYP3A4KCNH2
SCHEMBL28919139 0.75 CYP3A4 (0.59) CCR5CYP3A4
SCHEMBL12202570 0.73 CCR5 (0.84) CCR5CYP3A4KCNH2
SCHEMBL28598203 0.73 CCR5 (0.49) CCR5CYP3A4KCNH2OPRD1
SCHEMBL2896994 0.72 L3MBTL3 (0.46) CCR5KCNH2OPRD1
SCHEMBL4384809 0.72 CCR5 (0.59) CCR5KCNH2
SCHEMBL4074303 0.71 HSD11B1 (0.53)
SCHEMBL21047771 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TRPM8

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 1/4885CYP3A4 3290/4885KCNH2 2183/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 CCR5 1/4885CYP3A4 3082/4885KCNH2 2095/4885

“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.