SCHEMBL4885773

SCHEMBL4885773

CC(C)N(Cc1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2[nH]1)C1CCCc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP2D6 P10635 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5243130 0.91 CXCR4 (0.45) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4889263 0.91 CXCR4 (0.46) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4885865 0.87 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4889703 0.87 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4882362 0.86 CXCR4 (0.54) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5241490 0.83 CXCR4 (0.46) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5241307 0.81 CXCR4 (0.49) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4882562 0.81 CXCR4 (0.49) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4891970 0.79 CXCR4 (0.48) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4886436 0.79 CXCR4 (0.47) CXCR4CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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 (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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 3578/4885CHRM4 1640/4885

“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.