SCHEMBL2084725

SCHEMBL2084725

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)CCN2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.42
CXCR4 P61073 2/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.40
HTR7 P34969 1/20 0.40
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ACKR3 P25106 1/20 0.39
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2086000 0.90 CXCR4 (0.46) ALDH1A1KDM4ECXCR4ACKR3TMEM97
SCHEMBL2082352 0.82 SMO (0.43) KDM4EKMT2ACXCR4MEN1ACKR3
SCHEMBL2083744 0.81 BTK (0.43) KDM4EKMT2ACXCR4MEN1ACKR3
SCHEMBL5576989 0.81 CXCR4 (0.40) KMT2ACXCR4MEN1ACKR3USP2
SCHEMBL4535370 0.81 CCR5 (0.44) KDM4EKMT2ACXCR4MEN1ACKR3
SCHEMBL2081000 0.81 TDP1 (0.47) CXCR4ACKR3KCNH2
SCHEMBL12935360 0.80 CCR5 (0.41) ALDH1A1KDM4EKMT2ACXCR4MEN1
Hydroxyamine SCHEMBL4518793 0.79 CCR5 (0.43) KDM4EKMT2ACXCR4MEN1ACKR3
SCHEMBL2084852 0.78 CXCR4 (0.42) KMT2ACXCR4MEN1KCNH2
SCHEMBL2082533 0.78 L3MBTL1 (0.50) ALDH1A1KDM4EKMT2AMEN1USP2

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 14 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-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 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-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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 ALDH1A1 357/4885KDM4E 3901/4885KMT2A 4082/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ALDH1A1 424/4885KDM4E 3210/4885KMT2A 2950/4885

“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.