SCHEMBL2082835

SCHEMBL2082835

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=N)NO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.38
ACKR3 P25106 4/20 0.36
CCR5 P51681 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2081333 0.87 CXCR4 (0.40) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2084088 0.87 TDP1 (0.39) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2082693 0.87 CXCR4 (0.36) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2085739 0.86 TRPV1 (0.43) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2084702 0.86 CXCR4 (0.41) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2083629 0.85 MAPK1 (0.36) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2085538 0.83 CXCR4 (0.38) CXCR4ACKR3CCR5KCNH2GABRA1
SCHEMBL2082778 0.83 CXCR4 (0.38) CXCR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2083744 0.82 BTK (0.43) CXCR4ACKR3CCR5TDP1TRPV1
SCHEMBL2081000 0.82 TDP1 (0.47) CXCR4ACKR3CCR5TDP1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 CXCR4 1/4885ACKR3 12/4885CCR5 5/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885ACKR3 9/4885CCR5 4/4885

“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.