SCHEMBL2082873

SCHEMBL2082873

CN(CCCCNCc1ncccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SSTR4 P31391 1/20 0.39
PDK2 Q15119 1/20 0.37
SLC40A1 Q9NP59 8/20 0.35
ADORA2A P29274 1/20 0.34
GBA1 P04062 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL30069416 0.82 CYP3A4 (0.49)
SCHEMBL21744312 0.82 CYP3A4 (0.49)
SCHEMBL2086699 0.81 CHRM2 (0.35) CHRM2BCHEACHEAAK1CHRM4
SCHEMBL19178633 0.80 CD38 (0.43) CHRM2SSTR4PDK2SLC40A1ADORA2A
SCHEMBL16269026 0.79 KDM4E (0.38) CHRM2SSTR4PDK2SLC40A1GBA1
SCHEMBL4034899 0.79 BCHE (0.35) CHRM2BCHEACHEMETAP2
SCHEMBL2082883 0.75 BCHE (0.35) CHRM2BCHEACHESSTR4PDK2
SCHEMBL2084235 0.74 BCHE (0.34) CHRM2BCHEACHESSTR4PDK2
SCHEMBL2082674 0.73 CXCR4 (0.41) CHRM2BCHEACHESSTR4PDK2
SCHEMBL25352467 0.73 CA14 (0.48) CHRM2BCHEACHEAAK1METAP2

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
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
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP 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
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 CHRM2 785/4885BCHE 3734/4885ACHE 3926/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CHRM2 655/4885BCHE 4360/4885ACHE 3767/4885

“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.