SCHEMBL4243344

SCHEMBL4243344

CC(C)(C)OC(=O)N1CCC(N(Cc2ccsc2)c2ccc(Br)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.48
TP53 P04637 2/20 0.44
CCR5 P51681 1/20 0.44
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4236458 0.86 GPR119 (0.51) GPR119TP53CCR5LMNA
SCHEMBL4240462 0.82 GPR119 (0.54) GPR119CCR5MEN1KMT2A
SCHEMBL4244468 0.78 CCR5 (0.52) CCR5
SCHEMBL4243343 0.77 ALDH1A1 (0.48) GPR119TP53
SCHEMBL4391767 0.76 CCR5 (0.57) GPR119CCR5MEN1KMT2A
SCHEMBL4240439 0.75 CCR5 (0.52) CCR5
SCHEMBL3757151 0.74 GPR119 (0.50) GPR119TP53CCR5LMNA
SCHEMBL4500201 0.73 GPR119 (0.52) GPR119TP53LMNA
SCHEMBL4312794 0.73 MEN1 (0.62) GPR119MEN1KMT2A
SCHEMBL14167829 0.72 GPR119 (0.70) GPR119

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 GPR119 207/4885TP53 2866/4885CCR5 1/4885

“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.