SCHEMBL2083151

SCHEMBL2083151

Cc1cc(Cl)cnc1CN(Cc1ncccc1C(C)C)C1CCN(C(=O)Nc2ncc[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.34
SMO Q99835 2/20 0.34
P2RY12 Q9H244 1/20 0.34
TRPV1 Q8NER1 6/20 0.33
FFAR2 O15552 1/20 0.33
CXCR4 P61073 1/20 0.33
PTGES O14684 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
SCHEMBL2083906 0.93 CXCR4 (0.36) CCR2SMOTRPV1CXCR4
SCHEMBL2084159 0.88 CXCR4 (0.34) SMOP2RY12TRPV1CXCR4
SCHEMBL5053655 0.85 CXCR4 (0.35) SMOCXCR4
SCHEMBL2081809 0.85 MAPK8 (0.37) CCR2P2RY12
SCHEMBL2080848 0.85 TRPV1 (0.34) CCR2SMOTRPV1
SCHEMBL2084358 0.84 TRPV1 (0.42) TRPV1CXCR4
SCHEMBL2084322 0.83 TRPV1 (0.36) TRPV1
SCHEMBL12935463 0.83 TRPV1 (0.34) CCR2P2RY12TRPV1CXCR4
SCHEMBL2082964 0.81 POLB (0.41)
SCHEMBL2085708 0.81 MEN1 (0.40)

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-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
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 CCR2 7/4885SMO 3768/4885P2RY12 218/4885

“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.