SCHEMBL4387384

SCHEMBL4387384

Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccncc3)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00
KCNH2 Q12809 6/20 0.88
CYP3A4 P08684 1/20 0.67

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
SCHEMBL13647739 0.94 CCR5 (1.00) CCR5KCNH2
SCHEMBL16503431 0.90 CCR5 (0.92) CCR5KCNH2
SCHEMBL12207058 0.89 CCR5 (0.90) CCR5KCNH2
SCHEMBL3837201 0.88 CCR5 (0.88) CCR5KCNH2
SCHEMBL12207061 0.83 CCR5 (0.75) CCR5KCNH2CYP3A4
SCHEMBL12202560 0.83 CCR5 (1.00) CCR5KCNH2
SCHEMBL3836533 0.83 CCR5 (0.88) CCR5KCNH2CYP3A4
SCHEMBL4390695 0.83 CCR5 (1.00) CCR5KCNH2CYP3A4
SCHEMBL14018521 0.82 CCR5 (0.69) CCR5KCNH2CYP3A4
SCHEMBL12207066 0.81 CCR5 (0.75) 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 11 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 claimed
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-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors NOVARTIS AG 2008-10-09 US 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-7399771-B2 Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2008-07-15 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 2183/4885CYP3A4 3290/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2095/4885CYP3A4 3082/4885

“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.