SCHEMBL13404696

SCHEMBL13404696

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.76
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
STAT1 P42224 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL389699 1.00 GPR119 (0.76) GPR119CYP2C9KDM4ENPC1HPGD
SCHEMBL13404668 0.89 GPR119 (0.77) GPR119KDM4ENPC1HPGDRAB9A
SCHEMBL391219 0.89 GPR119 (0.77) GPR119KDM4ENPC1HPGDRAB9A
SCHEMBL388000 0.86 GPR119 (1.00) GPR119CYP2C9CYP3A4
SCHEMBL12914937 0.83 GPR119 (0.73) GPR119CYP3A4
SCHEMBL391131 0.83 GPR119 (0.73) GPR119CYP3A4
SCHEMBL388154 0.82 GPR119 (0.83) GPR119CYP2C9CYP3A4
SCHEMBL12904167 0.78 GPR119 (0.67) GPR119KDM4ENPC1HPGDRAB9A
SCHEMBL14548274 0.78 GPR119 (0.79) GPR119CYP2C9KDM4ENPC1HPGD
SCHEMBL389493 0.78 GPR119 (0.67) GPR119KDM4ENPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410119-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-8410119-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-7625906-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7625906-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 US disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 US 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 (3 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-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 GPR119 36/4885CYP2C9 55/4885KDM4E 1864/4885
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, CYP4F3 GPR119 36/4885CYP2C9 55/4885KDM4E 1864/4885
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 GPR119 36/4885CYP2C9 55/4885KDM4E 1864/4885

“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.