SCHEMBL4248612

SCHEMBL4248612

CC(C)(C)OC(=O)N1CCC(C2(c3ccc(OC(F)(F)F)cc3)Cc3ccccc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
KCNH2 Q12809 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
CCR5 P51681 1/20 0.42
LIPE Q05469 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ABHD6 Q9BV23 2/20 0.40
NAMPT P43490 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39
KDM1A O60341 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL12183699 0.77 GPR119 (0.48) GPR119HRH3NAMPTKDM1AALDH1A1
SCHEMBL4249211 0.76 CCR5 (0.52) KCNH2CCR5
SCHEMBL4183397 0.71 GPR119 (0.61) GPR119KCNH2SCN5ASCN9ALIPE
SCHEMBL2951108 0.71 GPR119 (0.63) GPR119KCNH2SCN5ASCN9ALIPE
SCHEMBL3396946 0.70 GPR119 (0.54) GPR119KCNH2SCN5ASCN9ALIPE
SCHEMBL31094899 0.70 GPR119 (0.54) GPR119SCN5AHRH3EPHX2
SCHEMBL17848653 0.70 GPR119 (0.54) GPR119SCN5AHRH3EPHX2
SCHEMBL2745099 0.70 HRH3 (0.60) GPR119HRH3NAMPTKDM1AKDM4E
SCHEMBL1807945 0.70 GPR119 (0.57) GPR119KCNH2SCN5ASCN9ALIPE
SCHEMBL4240538 0.70 RORC (0.54) GPR119NAMPTKDM4EPKM

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 207/4885KCNH2 4679/4885SCN5A 4409/4885

“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.