SCHEMBL2083906

SCHEMBL2083906

Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.36
TRPV1 Q8NER1 3/20 0.35
CCR2 P41597 2/20 0.34
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
SMO Q99835 1/20 0.33
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2083151 0.93 CCR2 (0.34) CXCR4TRPV1CCR2SMO
SCHEMBL12935463 0.89 TRPV1 (0.34) CXCR4TRPV1CCR2GSK3BDYRK1A
SCHEMBL2082964 0.88 POLB (0.41) POLBMAPTHSD17B10
SCHEMBL2084022 0.87 CXCR4 (0.38) CXCR4TRPV1GSK3BDYRK1ASMO
SCHEMBL2084436 0.87 FAAH (0.38) CXCR4TRPV1GSK3BDYRK1A
SCHEMBL2083283 0.86 CXCR4 (0.39) CXCR4TRPV1GSK3BDYRK1ASMO
SCHEMBL23428540 0.86 ADRA1D (0.36) CXCR4TRPV1CCR2GSK3BDYRK1A
SCHEMBL2082165 0.85 GSK3B (0.35) CXCR4TRPV1GSK3BDYRK1A
SCHEMBL2085997 0.85 GSK3B (0.36) CXCR4TRPV1GSK3BDYRK1A
SCHEMBL2084358 0.85 TRPV1 (0.42) CXCR4TRPV1POLBMAPTCYP2D6

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 7 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-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-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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 (1 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885TRPV1 625/4885CCR2 7/4885

“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.