SCHEMBL2695947

SCHEMBL2695947

c1c[nH]c(CN(Cc2ccc(CCN3CCC4(CCN(C5CCCCC5)CC4)C3)cc2)Cc2ncc[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.42
L3MBTL3 Q96JM7 10/20 0.39
L3MBTL1 Q9Y468 8/20 0.39
HRH3 Q9Y5N1 2/20 0.36
MBTD1 Q05BQ5 1/20 0.36
TP53BP1 Q12888 1/20 0.36

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
SCHEMBL2695135 0.91 CXCR4 (0.38) CXCR4L3MBTL3L3MBTL1HRH3
SCHEMBL1793097 0.91 CXCR4 (0.49) CXCR4L3MBTL3L3MBTL1HRH3
SCHEMBL2695579 0.87 CXCR4 (0.46) CXCR4
SCHEMBL2695146 0.87 CXCR4 (0.46) CXCR4HRH3
SCHEMBL14856676 0.87 CXCR4 (0.45) CXCR4L3MBTL3L3MBTL1
SCHEMBL2692410 0.86 CXCR4 (0.60) CXCR4L3MBTL3L3MBTL1HRH3
SCHEMBL2694965 0.86 CXCR4 (0.45) CXCR4L3MBTL3L3MBTL1HRH3
SCHEMBL2694993 0.85 CXCR4 (0.38) CXCR4
SCHEMBL2694762 0.84 CXCR4 (0.49) CXCR4
SCHEMBL2694387 0.84 CXCR4 (0.43) CXCR4L3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US claimed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885L3MBTL3 1463/4885L3MBTL1 842/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 CXCR4 1/4885L3MBTL3 2251/4885L3MBTL1 1506/4885

“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.