SCHEMBL2084574

SCHEMBL2084574

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(Cc2ncc[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
PARP1 P09874 1/20 0.39
CXCR4 P61073 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CTSD P07339 1/20 0.38
EGLN1 Q9GZT9 6/20 0.37
TRPC5 Q9UL62 1/20 0.36
EGLN3 Q9H6Z9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
CCR5 P51681 1/20 0.35
CYP3A4 P08684 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL23428761 0.93 ALOX15 (0.41) ALOX15PARP1CXCR4TAAR1CTSD
SCHEMBL2084679 0.81 L3MBTL1 (0.48) EGLN1ALDH1A1
SCHEMBL23428748 0.79 CHRNB2 (0.49) ALDH1A1CYP3A4
SCHEMBL23428555 0.78 KDM4E (0.46) CXCR4ALDH1A1CYP3A4
SCHEMBL2084852 0.78 CXCR4 (0.42) CXCR4KCNH2CCR5
SCHEMBL4038763 0.78 CCR5 (0.41) CXCR4KCNH2CCR5
SCHEMBL2084358 0.75 TRPV1 (0.42) CXCR4CCR5
SCHEMBL2083529 0.74 SLC6A2 (0.50) CXCR4CYP3A4
SCHEMBL23428766 0.74 CXCR4 (0.43) CXCR4EGLN1ALDH1A1KCNH2CCR5
SCHEMBL2086381 0.74 CXCR4 (0.40) CXCR4CCR5CYP3A4

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 15 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
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 ALOX15 1313/4885PARP1 974/4885CXCR4 1/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ALOX15 1632/4885PARP1 1457/4885CXCR4 1/4885

“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.