SCHEMBL2084022

SCHEMBL2084022

Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)NO)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.38
TRPV1 Q8NER1 1/20 0.35
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
CCR5 P51681 2/20 0.31
KCNH2 Q12809 1/20 0.31
SMO Q99835 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKG1 Q13976 1/20 0.31
RPLP1 P05386 1/20 0.31
RPLP0 P05388 1/20 0.31
RPS17 P08708 1/20 0.31
RPSA P08865 1/20 0.31
RPS2 P15880 1/20 0.31
RPL35A P18077 1/20 0.31
RPL7 P18124 1/20 0.31
RPL17 P18621 1/20 0.31
RPS4Y1 P22090 1/20 0.31
RPS3 P23396 1/20 0.31
RPS12 P25398 1/20 0.31

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
SCHEMBL2083283 0.92 CXCR4 (0.39) CXCR4TRPV1GSK3BDYRK1ASMO
SCHEMBL2084159 0.91 CXCR4 (0.34) CXCR4TRPV1SMOP2RY12
SCHEMBL2080607 0.91 CXCR4 (0.41) CXCR4TRPV1GSK3BDYRK1ACCR5
SCHEMBL5058354 0.90 CXCR4 (0.39) CXCR4CCR5KCNH2RPLP1RPLP0
SCHEMBL2082778 0.90 CXCR4 (0.38) CXCR4
SCHEMBL2083541 0.89 CXCR4 (0.40) CXCR4TRPV1CCR5KCNH2RPLP1
SCHEMBL2084436 0.89 FAAH (0.38) CXCR4TRPV1GSK3BDYRK1A
SCHEMBL2082164 0.88 CXCR4 (0.34) CXCR4TRPV1GSK3BDYRK1ARPLP1
SCHEMBL2085997 0.88 GSK3B (0.36) CXCR4TRPV1GSK3BDYRK1A
SCHEMBL23428540 0.87 ADRA1D (0.36) CXCR4TRPV1GSK3BDYRK1ARPLP1

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 14 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-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-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
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 1/4885TRPV1 1269/4885GSK3B 1041/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885TRPV1 625/4885GSK3B 1206/4885

“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.