SCHEMBL674847

SCHEMBL674847

c1cc(CN2CCCCNCCNCCNCC2)cc(CN2CCCCNCCNCCNCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.65
TDP1 Q9NUW8 2/20 0.65
MEN1 O00255 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
ADRA2C P18825 1/20 0.65
CCR2 P41597 1/20 0.65
CXCL12 P48061 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
SIGMAR1 Q99720 1/20 0.61
PRMT6 Q96LA8 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL6237364 0.97 SIGMAR1 (0.61) CXCR4TDP1MEN1CHRM2CHRM1
SCHEMBL674945 0.93 CXCR4 (0.75) CXCR4TDP1MEN1CHRM2CHRM1
SCHEMBL17929341 0.91 CXCR4 (0.72) CXCR4TDP1MEN1CHRM2CHRM1
SCHEMBL1259602 0.91 SIGMAR1 (0.71) CXCR4TDP1MEN1CHRM2CHRM1
SCHEMBL21961925 0.91 SIGMAR1 (0.71) CXCR4TDP1MEN1CHRM2CHRM1
Bromide SCHEMBL5675524 0.90 CXCR4 (0.71) CXCR4TDP1MEN1CHRM2CHRM1
Bromide SCHEMBL1259195 0.90 SIGMAR1 (0.69) CXCR4TDP1MEN1CHRM2CHRM1
SCHEMBL1259323 0.88 CXCR4 (0.67) CXCR4TDP1MEN1CHRM2CHRM1
SCHEMBL675084 0.88 CXCR4 (0.67) CXCR4TDP1MEN1CHRM2CHRM1
Bromide SCHEMBL7495511 0.86 CXCR4 (0.68) CXCR4TDP1MEN1CHRM2CHRM1

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161859-A1 USE OF CXCR4 ANTAGONISTS University of Washington Center for Commercialization 2021-06-03 US claimed
US-20150030561-A1 Use of CXCR4 Antagonists GENZYME CORP. (US) 2015-01-29 US claimed
EP-2391211-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER Genzyme Corporation (US) 2011-12-07 EP claimed
US-20110280827-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES HU YANPING (US) 2011-11-17 US claimed
US-20110281814-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION 2011-11-17 US claimed
EP-2384115-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES Genzyme Corporation (US) 2011-11-09 EP claimed
EP-2371361-A1 Methods to mobilize progenitor/stem cells Genzyme Global S.à.r.l. (LU) 2011-10-05 EP claimed
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 US claimed
US-RE42152-E1 Aromatic-linked polyamine macrocyclic compounds with anti-HIV activity GENZYME CORPORATION (US) 2011-02-15 US claimed
WO-2010088398-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2010-08-05 WO claimed
US-20060194776-A1 Compositions and methods for treating tissue ischemia CARITAS ST. ELIZABETH MEDICAL CENTER OF BOSTON, INC. (US) 2006-08-31 US claimed
EP-1148875-B1 METHODS AND COMPOSITIONS TO ENHANCE WHITE BLOOD CELL COUNT ANORMED INC (CA) 2004-06-09 EP claimed
US-6670354-B2 Administering cyclic polyamine compound to elevate white blood cell (WBC) count ANORMED, INC. 2003-12-30 US claimed
JP-3375961-B2 2003-02-10 JP claimed
EP-1223166-A1 Linked cyclic polyamines with activity against hiv. AnorMED Inc. (CA) 2002-07-17 EP claimed
US-20020058653-A1 Methods to enhance white blood cell count ANORMED, INC. (CA) 2002-05-16 US claimed
US-6365583-B1 ADMINISTERING NITROGEN CONTAINING CYCLIC COMPOUNDS FOR THERAPY OF ENHANCING WHITE BLOOD CELL COUNT ANORMED, INC. 2002-04-02 US claimed
US-5583131-A FOR TREATMENT OR PREVENTION OF ACQUIRED IMMUNE DEFICIENCY SYNDROME, REDUCED TOXICITY JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-12-10 US claimed
EP-0619813-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-10-19 EP claimed
WO-1993012096-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1993-06-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20210161859-A1 USE OF CXCR4 ANTAGONISTS CXCR4, CXCR2, CXCR3 CXCR4 1/4885TDP1 3497/4885MEN1 3707/4885
US-20150030561-A1 Use of CXCR4 Antagonists CXCR4, CXCR2, CXCR3 CXCR4 1/4885TDP1 3497/4885MEN1 3707/4885
US-20060194776-A1 Compositions and methods for treating tissue ischemia CXCL12, CXCR4, PDGFA CXCR4 2/4885TDP1 2681/4885MEN1 3672/4885

“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.