SCHEMBL4903648

SCHEMBL4903648

CN1CCN(c2cccc3nc(CN(C)C4CCOc5cccnc54)n(C)c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.44
KCNH2 Q12809 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
SCHEMBL4886469 0.84 CXCR4 (0.63) CXCR4KCNH2
SCHEMBL4885902 0.84 CXCR4 (0.63) CXCR4KCNH2
SCHEMBL4889563 0.84 CXCR4 (0.63) CXCR4KCNH2
SCHEMBL14067034 0.82 CXCR4 (0.43) CXCR4KCNH2
SCHEMBL4905253 0.79 HTR6 (0.48) CXCR4KCNH2
SCHEMBL4887173 0.78 CXCR4 (0.61) CXCR4KCNH2
SCHEMBL14067054 0.75 CXCR4 (0.41) CXCR4KCNH2
SCHEMBL4884787 0.75 CXCR4 (0.60) CXCR4KCNH2
SCHEMBL20851434 0.74 CXCR4 (0.71) CXCR4KCNH2
SCHEMBL20851437 0.74 CXCR4 (0.71) CXCR4KCNH2

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
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214562-A1 Chemical Compounds CCR5, CXCR4, CXCR3 CXCR4 2/4885KCNH2 4712/4885

“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.