SCHEMBL675729

SCHEMBL675729

C1CCC[N]CCNCCNCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CXCR4 P61073 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 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
SCHEMBL7509079 0.97 ALDH1A1 (0.47) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL566326 0.97 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL175198 0.94
SCHEMBL674177 0.91 ALDH1A1 (0.60) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL567977 0.88 ALDH1A1 (0.56) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL674050 0.86 CXCR4 (0.53) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL10036 0.85
SCHEMBL1782168 0.85 CXCR4 (0.41) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL1782381 0.82 HIF1A (0.50) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL567629 0.82

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095031-B1 ANTIVIRAL MACROCYCLIC COMPOUNDS GENZYME CORP (US) 2013-08-21 EP claimed
US-20040235814-A1 Methods to treat conditions mediated by chemokine receptors GENZYME CORPORATION 2004-11-25 US claimed
US-6756391-B2 CYCLIC POLYAMINES HAVING TOTAL 9-24 MEMBERS WHICH HAVE ACTIVITY IN AGAINST HIV-INFECTED CELLS AS WELL AS OTHER BIOLOGICAL ACTIVITY RELATED TO BINDING OF LIGANDS TO CHEMOKINE RECEPTORS ANORMED, INC. (CA) 2004-06-29 US claimed
US-20030018189-A1 Cyclic polyamines having total 9-24 members which have activity in against HIV-infected cells as well as other biological activity related to binding of ligands to chemokine receptors GENZYME CORPORATION 2003-01-23 US claimed
EP-1095031-B1 ANTIVIRAL MACROCYCLIC COMPOUNDS GENZYME CORP (US) 2013-08-21 EP disclosed
US-20110280827-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES HU YANPING (US) 2011-11-17 US disclosed
US-20110281814-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION 2011-11-17 US disclosed
US-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY GENZYME CORPORATION (US) 2011-10-06 US disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
WO-2010025416-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY GENZYME CORPORATION (US) 2010-03-04 WO disclosed
US-20100003224-A1 Combination Therapy GENZYME CORPORATION (US) 2010-01-07 US disclosed
EP-2056853-A1 COMBINATION THERAPY Genzyme Corporation (US) 2009-05-13 EP disclosed
WO-2008019371-A1 COMBINATION THERAPY GENZYME CORPORATION (US) 2008-02-14 WO disclosed
US-20070043012-A1 Methods to enhance chemotherapy GENZYME CORPORATION 2007-02-22 US disclosed
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells ANORMED INC. 2006-02-16 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 (5 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-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY CXCR4, CXCR3, CXCR1 ALDH1A1 1474/4885CXCR4 1/4885SMN1; SMN2 4338/4885
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells CXCL12, CXCR2, CXCR4 ALDH1A1 328/4885CXCR4 3/4885SMN1; SMN2 1674/4885
US-20070043012-A1 Methods to enhance chemotherapy CXCR4, MCL1, CXCL12 ALDH1A1 2257/4885CXCR4 1/4885SMN1; SMN2 2127/4885
US-20100178271-A1 Combination Therapy CXCL12, CSF3R, CXCR4 ALDH1A1 1587/4885CXCR4 3/4885SMN1; SMN2 2474/4885
US-20100003224-A1 Combination Therapy CXCL12, CXCR4, SDF4 ALDH1A1 703/4885CXCR4 2/4885SMN1; SMN2 1700/4885

“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.