SCHEMBL4245582

SCHEMBL4245582

CC(C)(C)OC(=O)N1CCC(Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
MAPT P10636 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
GPR119 Q8TDV5 5/20 0.49
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL4109009 0.84 ALDH1A1 (1.00) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL2873727 0.83 ALDH1A1 (0.75) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL22605496 0.83 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL4247075 0.82 ALDH1A1 (0.78) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL4115820 0.82 ALDH1A1 (0.77) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL17554400 0.82 ALDH1A1 (0.77) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL10210061 0.82 ALDH1A1 (0.79) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL23742323 0.81 ALDH1A1 (0.93) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL7384306 0.81 ALDH1A1 (0.76) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL23742318 0.81 ALDH1A1 (0.76) ALDH1A1MAPTNPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885MAPT 3843/4885NPC1 542/4885

“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.