SCHEMBL2653136

SCHEMBL2653136

O=C(O)C(CC1CCCC1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.48
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
TBXAS1 P24557 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GPR132 Q9UNW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
FPR2 P25090 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CPB2 Q96IY4 1/20 0.41
GFER P55789 1/20 0.41
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL2647246 0.85 MKNK1 (0.47) C3AR1GPR132CYP3A4CYP2C9CYP2C19
SCHEMBL1418768 0.83 CYP2C19 (0.47) C3AR1CYP3A4CYP2C19
SCHEMBL1418773 0.83 CYP2C19 (0.47) C3AR1CYP3A4CYP2C19
SCHEMBL2654203 0.83 MEN1 (0.44) C3AR1ITGB3ITGAVALDH1A1CYP3A4
SCHEMBL19031907 0.81 CPB2 (0.44) C3AR1CPB2
SCHEMBL2650820 0.80 RAB9A (0.57) ALDH1A1CYP3A4SMN1; SMN2GFER
SCHEMBL11631293 0.78 IDO1 (0.45) CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2647021 0.77 ROCK2 (0.43) CPB2
SCHEMBL25287082 0.77 SMN1; SMN2 (0.50) TBXAS1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL31038319 0.77 SMN1; SMN2 (0.50) TBXAS1ALDH1A1CYP2C9CYP2C19SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262196-B2 Tri(cyclo) substituted amide glucokinase activator compounds PROSIDION LIMITED (GB) 2007-08-28 US disclosed
US-7262196-B2 Tri(cyclo) substituted amide glucokinase activator compounds PROSIDION LIMITED (GB) 2007-08-28 US disclosed
US-7262196-B2 Tri(cyclo) substituted amide glucokinase activator compounds PROSIDION LIMITED (GB) 2007-08-28 US disclosed
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 EP disclosed
US-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds OSI PHARMACEUTICALS, INC. 2004-09-23 US disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 WO disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 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-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds GCKR, GCK, GALK1 C3AR1 3221/4885ITGB3 4467/4885ITGAV 4563/4885

“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.