SCHEMBL2081809

SCHEMBL2081809

Cc1cc(Cl)cnc1CN(Cc1nccc2ccccc12)C1CCN(C(=O)Nc2ncc[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.37
MAPK9 P45984 9/20 0.37
JUN P05412 8/20 0.37
MAPK10 P53779 6/20 0.37
CDK2 P24941 7/20 0.36
HRH4 Q9H3N8 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK1 P28482 1/20 0.34
HCRTR1 O43613 1/20 0.34
P2RY12 Q9H244 1/20 0.34
GRK2 P25098 1/20 0.33
GRK5 P34947 1/20 0.33
ROCK1 Q13464 1/20 0.33
GRK1 Q15835 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CCR2 P41597 1/20 0.33
REN P00797 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2083396 0.93 JUN (0.37) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL2083942 0.88 HCRTR1 (0.37) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5058388 0.85 ACHE (0.37) HCRTR1MALT1RENCYP3A4
SCHEMBL2083151 0.85 CCR2 (0.34) P2RY12CCR2
SCHEMBL23428930 0.85 HCRTR1 (0.36) MAPK8MAPK9MAPK10HCRTR1MALT1
SCHEMBL2080848 0.83 TRPV1 (0.34) CCR2
SCHEMBL2084600 0.81 MEN1 (0.42)
SCHEMBL2084358 0.81 TRPV1 (0.42)
SCHEMBL2084322 0.80 TRPV1 (0.36)
SCHEMBL2083524 0.80 OPRL1 (0.36) MAPK8MAPK9JUNMAPK10CDK2

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 9 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
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-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 MAPK8 2071/4885MAPK9 1527/4885JUN 435/4885

“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.