SCHEMBL2085169

SCHEMBL2085169

Cc1cnc(CN(Cc2ncccc2-c2ccccc2)C2CCN(C#N)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 16/20 0.42
CXCR4 P61073 3/20 0.39
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
UCHL1 P09936 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
SCHEMBL2083092 0.88 CXCR4 (0.42) USP30CXCR4GABRA1GABRG2GABRB3
SCHEMBL2082027 0.84 CXCR4 (0.40) USP30CXCR4UCHL1
SCHEMBL12935396 0.84 CXCR4 (0.40) CXCR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2082385 0.84 CXCR4 (0.42) CXCR4
SCHEMBL2085538 0.83 CXCR4 (0.38) CXCR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2085542 0.82 CXCR4 (0.39) CXCR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL12935380 0.82 CXCR4 (0.37) CXCR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL12935391 0.81 CXCR4 (0.38) CXCR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2086381 0.81 CXCR4 (0.40) USP30CXCR4UCHL1
SCHEMBL2086372 0.80 MEN1 (0.45) USP30

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 5 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
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 USP30 4208/4885CXCR4 1/4885GABRA1 2491/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 USP30 4224/4885CXCR4 1/4885GABRA1 2225/4885

“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.