SCHEMBL4244706

SCHEMBL4244706

CC(C)(C)OC(=O)N1CCC(N(Cc2cccc(F)c2)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
NR1D1 P20393 1/20 0.42
CCNT1 O60563 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
MET P08581 1/20 0.41
HPGDS O60760 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
SCHEMBL4240396 0.90 ALDH1A1 (0.53) GPR119MEN1KMT2AALDH1A1MAPT
SCHEMBL4240390 0.87 CCR5 (0.47) GPR119MEN1KMT2AALDH1A1MAPT
SCHEMBL4309350 0.81 MEN1 (0.67) GPR119MEN1KMT2AJAK2JAK1
SCHEMBL4307807 0.81 MEN1 (0.56) GPR119MEN1KMT2AALDH1A1MAPT
SCHEMBL4311539 0.81 MEN1 (0.56) GPR119MEN1KMT2AALDH1A1LMNA
SCHEMBL4304125 0.80 TP53 (0.50) GPR119MEN1KMT2ACCNT1JAK2
SCHEMBL4312794 0.80 MEN1 (0.62) GPR119MEN1KMT2AJAK2JAK1
SCHEMBL4307813 0.80 MEN1 (0.57) GPR119MEN1KMT2AJAK2JAK1
SCHEMBL4315157 0.79 MEN1 (0.49) GPR119MEN1KMT2AJAK2JAK1
SCHEMBL4306686 0.79 MEN1 (0.56) GPR119MEN1KMT2ATP53

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 207/4885MEN1 4855/4885KMT2A 4728/4885

“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.