SCHEMBL2086381

SCHEMBL2086381

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.40
USP30 Q70CQ3 11/20 0.37
UCHL1 P09936 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NAAA Q02083 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23428555 0.84 KDM4E (0.46) CXCR4CHRM2CHRM4CYP3A4CHRM5
SCHEMBL2082027 0.81 CXCR4 (0.40) CXCR4USP30UCHL1CHRM2CHRM4
SCHEMBL2085169 0.81 USP30 (0.42) CXCR4USP30UCHL1
SCHEMBL23428766 0.80 CXCR4 (0.43) CXCR4CHRM2CHRM4CYP3A4CHRM5
SCHEMBL2082698 0.79 CXCR4 (0.38) CXCR4CHRM2CHRM4CYP3A4CHRM5
SCHEMBL2082693 0.79 CXCR4 (0.36) CXCR4CHRM2CHRM4CYP3A4CHRM5
SCHEMBL12935680 0.79 CXCR4 (0.38) CXCR4CHRM2CHRM4CYP3A4CHRM5
SCHEMBL2084852 0.79 CXCR4 (0.42) CXCR4CCR5MEN1KMT2A
SCHEMBL4535370 0.79 CCR5 (0.44) CXCR4CCR5MEN1KMT2A
SCHEMBL5576989 0.79 CXCR4 (0.40) CXCR4CHRM2CHRM4CYP3A4CHRM5

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 CXCR4 1/4885USP30 4208/4885UCHL1 4194/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885USP30 4224/4885UCHL1 4260/4885

“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.