SCHEMBL2082843

SCHEMBL2082843

Cc1cccnc1CN(Cc1ncccc1C(C)C)C1CCC(N)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.45
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CHRNA7 P36544 1/20 0.32
OPRL1 P41146 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL12935205 1.00 CXCR4 (0.45) CXCR4MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL2084816 0.90 CXCR4 (0.46) CXCR4MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12935362 0.90 CXCR4 (0.46) CXCR4MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL2082680 0.89 CXCR4 (0.44) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2082676 0.89 CXCR4 (0.44) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12935370 0.89 CXCR4 (0.44) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5054932 0.85 CXCR4 (0.42) CXCR4MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL2084944 0.83 CXCR4 (0.42) CXCR4MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12935208 0.83 CXCR4 (0.42) CXCR4MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12935377 0.80 CXCR4 (0.40) CXCR4MEN1MAPK1KMT2ASMN1; SMN2

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 6 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 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 1/4885MEN1 4609/4885MAPK1 1259/4885

“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.