SCHEMBL2082218

SCHEMBL2082218

Cc1cnc(CN(Cc2ncccc2C(C)C)[C@H]2CC[C@H](C(=O)NO)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.39
ABL1 P00519 6/20 0.35
GSK3B P49841 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
LPAR1 Q92633 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL12935509 1.00 CXCR4 (0.39) CXCR4ABL1GSK3BMAPTNPC1
SCHEMBL2082294 0.89 CXCR4 (0.39) CXCR4ABL1GSK3BLMNACYP3A4
SCHEMBL2082298 0.89 CXCR4 (0.39) CXCR4ABL1GSK3BLMNACYP3A4
SCHEMBL2084022 0.86 CXCR4 (0.38) CXCR4GSK3BMAPTLMNADYRK1A
SCHEMBL2082680 0.84 CXCR4 (0.44) CXCR4
SCHEMBL12935370 0.84 CXCR4 (0.44) CXCR4
SCHEMBL2082676 0.84 CXCR4 (0.44) CXCR4
SCHEMBL23428604 0.83 CXCR4 (0.46) CXCR4GSK3BMAPTSMN1; SMN2ALDH1A1
SCHEMBL5058354 0.83 CXCR4 (0.39) CXCR4MAPTLMNACYP3A4
SCHEMBL2082778 0.82 CXCR4 (0.38) CXCR4

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 1/4885ABL1 1977/4885GSK3B 1041/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885ABL1 702/4885GSK3B 1206/4885

“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.