SCHEMBL4244424

SCHEMBL4244424

C[C@H](CCN)N1CCC(Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
POLB P06746 1/20 0.33
GFER P55789 1/20 0.32
UBE2M P61081 3/20 0.32
DCUN1D1 Q96GG9 3/20 0.32
SLC6A5 Q9Y345 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PREP P48147 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
SCHEMBL4244419 0.84 ALDH1A1 (0.42) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4240045 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AGFER
SCHEMBL4236028 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AGFER
SCHEMBL4236562 0.81 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4236564 0.81 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4242742 0.81 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL4238870 0.81 MAPT (0.56) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL4238740 0.80 UBE2M (0.41) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL17782503 0.79 POLB (0.54) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4247943 0.78 POLB (0.56) SIGMAR1POLBUBE2MDCUN1D1MEN1

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.