SCHEMBL4388736

SCHEMBL4388736

Cc1nc(CN(c2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)nc(-c5ccccc5)nc4C)CC3)CC2)cs1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.72
KCNH2 Q12809 7/20 0.72
CHRM2 P08172 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
SCHEMBL3840733 0.84 CCR5 (1.00) CCR5KCNH2
SCHEMBL4386745 0.79 CCR5 (0.65) CCR5KCNH2
SCHEMBL3841388 0.79 CCR5 (0.64) CCR5KCNH2CHRM2
SCHEMBL12202593 0.77 CCR5 (0.71) CCR5KCNH2
SCHEMBL3839041 0.77 CCR5 (0.66) CCR5KCNH2CHRM2
SCHEMBL12202451 0.77 CCR5 (0.79) CCR5KCNH2
SCHEMBL4396640 0.74 CCR5 (0.63) CCR5KCNH2CHRM2
SCHEMBL3841540 0.74 CCR5 (1.00) CCR5KCNH2
SCHEMBL12202586 0.74 CCR5 (0.71) CCR5KCNH2
SCHEMBL12202539 0.74 CCR5 (0.68) 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 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-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

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 2183/4885CHRM2 337/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2095/4885CHRM2 275/4885

“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.