SCHEMBL756824

SCHEMBL756824

CC1(OC(=O)N2CC[C@H](Oc3cc(N4CCc5nc(C(N)=O)ccc54)ncn3)[C@H](F)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 5/20 0.33
NTRK1 P04629 4/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
JAK2 O60674 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL298683 1.00 GPR119 (0.38) GPR119CYP2C9CYP2C19KCNH2NTRK1
SCHEMBL756571 0.95 GPR119 (0.39) GPR119CYP2C9CYP2C19JAK2TBK1
SCHEMBL299860 0.95 GPR119 (0.39) GPR119CYP2C9CYP2C19JAK2TBK1
SCHEMBL757863 0.93 GPR119 (0.37) GPR119CYP2C9CYP2C19JAK2TBK1
SCHEMBL3510203 0.88 GPR119 (0.38) GPR119KCNH2NTRK1NTRK3NTRK2
SCHEMBL757959 0.79 GPR119 (0.48) GPR119CYP2C9CYP2C19
SCHEMBL756825 0.78 GPR119 (0.35) GPR119
SCHEMBL298847 0.77 GPR119 (0.40) GPR119CYP2C9CYP2C19JAK2TBK1
SCHEMBL759976 0.77 GPR119 (0.40) GPR119CYP2C9CYP2C19JAK2TBK1
SCHEMBL300340 0.77 GPR119 (0.40) GPR119CYP2C9CYP2C19JAK2TBK1

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-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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 (2 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 GPR119 1/4885CYP2C9 722/4885CYP2C19 329/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 GPR119 1/4885CYP2C9 1406/4885CYP2C19 838/4885

“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.