SCHEMBL3840733

SCHEMBL3840733

Cc1nc(CN(c2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)cc[n+]([O-])c4C)CC3)CC2)cs1

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 7/20 1.00
CYP3A4 P08684 1/20 0.62

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
SCHEMBL4394652 0.88 CCR5 (0.79) CCR5KCNH2CYP3A4
SCHEMBL3837942 0.87 CCR5 (1.00) CCR5KCNH2CYP3A4
SCHEMBL14024851 0.85 CCR5 (0.84) CCR5KCNH2CYP3A4
SCHEMBL4388736 0.84 CCR5 (0.72) CCR5KCNH2
SCHEMBL3839041 0.79 CCR5 (0.66) CCR5KCNH2
SCHEMBL4386745 0.79 CCR5 (0.65) CCR5KCNH2
SCHEMBL3841388 0.79 CCR5 (0.64) CCR5KCNH2
SCHEMBL4387763 0.77 CCR5 (0.80) CCR5KCNH2CYP3A4
SCHEMBL4396640 0.77 CCR5 (0.63) CCR5KCNH2
SCHEMBL4385620 0.77 CCR5 (1.00) CCR5KCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379504-B1 BIPIPERIDINYL-DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTORS INHIBITORS NOVARTIS PHARMA GMBH (AT) 2009-10-28 EP disclosed
US-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors NOVARTIS 2004-07-22 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 (1 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-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors CCR5, CCR2, CXCR3 CCR5 1/4885KCNH2 4158/4885CYP3A4 1772/4885

“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.