SCHEMBL2081740

SCHEMBL2081740

Cc1cccnc1CNC(CCCN)Cc1nccn1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.35
OPRK1 P41145 1/20 0.35
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CBLB Q13191 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA2A P29274 3/20 0.30
ADORA1 P30542 2/20 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
SCHEMBL4530202 0.86 TLR8 (0.37) CXCR4ADRA2CKMT2AADORA2AADORA1
SCHEMBL4214955 0.85 CXCR4 (0.41) CXCR4MAOAMAOBADORA2AADORA1
SCHEMBL2084125 0.84 ADRA2C (0.35) CXCR4ADRA2C
SCHEMBL2082171 0.81 ADORA2A (0.41) CXCR4MAOAMAOBADORA2AADORA1
SCHEMBL2085702 0.81 MAPT (0.46) CXCR4MEN1KMT2A
SCHEMBL2084992 0.80 ADRA2C (0.36) CXCR4ADRA2CMEN1KMT2AADORA2A
SCHEMBL2083908 0.80 ADORA2A (0.38) CXCR4MAOAMAOBADORA2AADORA1
SCHEMBL2085159 0.80 CXCR4 (0.38) CXCR4MAOAMAOBADORA2AADORA1
SCHEMBL2084251 0.78 HRH1 (0.39) CXCR4MAOAMAOBMEN1KMT2A
SCHEMBL2083555 0.78 CXCR4 (0.39) CXCR4ADRA2CMAOAMAOBADORA2A

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-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
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 CXCR4 1/4885OPRK1 71/4885ADRA2C 692/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885OPRK1 108/4885ADRA2C 663/4885

“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.