SCHEMBL4239118

SCHEMBL4239118

COc1ccc(N(Cc2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.56
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SLC2A1 P11166 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TP53 P04637 1/20 0.51
CCR5 P51681 1/20 0.51
OPRM1 P35372 1/20 0.50
CACNA1B Q00975 1/20 0.50
TGFBR1 P36897 1/20 0.49
STS P08842 2/20 0.49
EPHX2 P34913 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL4309350 0.88 MEN1 (0.67) GPR119JAK2JAK1MEN1KMT2A
SCHEMBL4242284 0.87 JAK2 (0.51) GPR119JAK2JAK1SLC2A1MEN1
SCHEMBL4116149 0.85 SLC2A1 (0.53) GPR119ALDH1A1SLC2A1MEN1KMT2A
SCHEMBL4240592 0.85 JAK2 (0.52) GPR119JAK2JAK1MEN1KMT2A
SCHEMBL4306735 0.85 KMT2A (0.57) GPR119JAK2JAK1MEN1KMT2A
SCHEMBL4240396 0.85 ALDH1A1 (0.53) GPR119JAK2JAK1ALDH1A1MEN1
SCHEMBL4116242 0.84 GPR119 (0.49) GPR119ALDH1A1SLC2A1MEN1KMT2A
SCHEMBL4236001 0.84 GPR119 (0.52) GPR119JAK2JAK1MEN1KMT2A
SCHEMBL4306235 0.83 MEN1 (0.53) GPR119JAK2JAK1MEN1KMT2A
SCHEMBL4312794 0.82 MEN1 (0.62) GPR119JAK2JAK1MEN1KMT2A

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 207/4885JAK2 2034/4885JAK1 3701/4885

“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.