SCHEMBL2083137

SCHEMBL2083137

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Cc2ccccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.43
EPHX2 P34913 1/20 0.43
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PARP14 Q460N5 1/20 0.41
SYK P43405 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CCR5 P51681 2/20 0.40
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CCR3 P51677 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
GRIN2B Q13224 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
SCHEMBL2082533 0.88 L3MBTL1 (0.50) KDM4EALDH1A1CCR5SMN1; SMN2POLB
SCHEMBL2085991 0.86 CCR5 (0.37) KDM4EALDH1A1PARP14CCR5MEN1
SCHEMBL2082352 0.85 SMO (0.43) KDM4ECCR5POLBMEN1KMT2A
SCHEMBL2083744 0.84 BTK (0.43) KDM4ECCR5POLBMEN1KMT2A
SCHEMBL2081000 0.84 TDP1 (0.47) PARP14CCR5KCNH2
SCHEMBL4535370 0.84 CCR5 (0.44) KDM4ECCR5MEN1KMT2AKCNH2
SCHEMBL2083588 0.83 L3MBTL1 (0.52) ALDH1A1EPHX2CCR5SMN1; SMN2CCR3
SCHEMBL12935360 0.83 CCR5 (0.41) KDM4EALDH1A1FNTAFNTBCCR5
SCHEMBL2084326 0.82 CCR5 (0.48) ALDH1A1CCR5KMT2AKCNH2
Hydroxyamine SCHEMBL4518793 0.82 CCR5 (0.43) KDM4ECCR5POLBMEN1KMT2A

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
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

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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KDM4E 3210/4885ALDH1A1 424/4885CNR1 99/4885

“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.