SCHEMBL4244191

SCHEMBL4244191

COC(=O)c1ccc(Oc2ccc(NC3CCN([C@H](C)CCN)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 6/20 0.47
DCUN1D1 Q96GG9 6/20 0.47
LTA4H P09960 3/20 0.46
MAPT P10636 2/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
FLT3 P36888 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4245557 0.95 UBE2M (0.48) UBE2MDCUN1D1MAPTEPHX2ALDH1A1
SCHEMBL4236028 0.83 ALDH1A1 (0.47) UBE2MDCUN1D1MAPTALDH1A1SMN1; SMN2
SCHEMBL4240045 0.83 ALDH1A1 (0.47) UBE2MDCUN1D1MAPTALDH1A1SMN1; SMN2
SCHEMBL4244937 0.80 CCR5 (0.52)
SCHEMBL4242742 0.79 UBE2M (0.46) UBE2MDCUN1D1EPHX2
SCHEMBL4238870 0.79 MAPT (0.56) MAPTALDH1A1LMNA
SCHEMBL4241138 0.77 CCR5 (0.64) UBE2MDCUN1D1
SCHEMBL4247943 0.76 POLB (0.56) UBE2MDCUN1D1
SCHEMBL4238740 0.76 UBE2M (0.41) UBE2MDCUN1D1MAPTEPHX2ALDH1A1
SCHEMBL4244424 0.74 ALDH1A1 (0.37) UBE2MDCUN1D1MAPTALDH1A1

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 2 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
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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 (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 UBE2M 4562/4885DCUN1D1 3581/4885LTA4H 596/4885

“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.