SCHEMBL10137752

SCHEMBL10137752

Cc1ccc(Nc2ncnc3c2cnn3C2CCN(C(=O)OC(C)C)CC2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.63
CYP3A4 P08684 1/20 0.63
GPR119 Q8TDV5 18/20 0.53
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1128834 0.90 CYP2C9 (0.60) CYP2C9CYP3A4GPR119KCNH2
SCHEMBL303668 0.89 CYP2C9 (0.80) CYP2C9CYP3A4GPR119KCNH2
SCHEMBL10151300 0.87 CYP2C9 (0.58) CYP2C9CYP3A4GPR119KCNH2
SCHEMBL11913127 0.85 GPR119 (0.51) CYP2C9CYP3A4GPR119KCNH2
SCHEMBL10137749 0.85 CYP3A4 (0.59) CYP2C9CYP3A4GPR119ALDH1A1LMNA
SCHEMBL12648956 0.81 GPR119 (0.55) CYP2C9CYP3A4GPR119
SCHEMBL12596827 0.81 CYP2C9 (0.51) CYP2C9CYP3A4GPR119ALDH1A1
SCHEMBL10137755 0.79 CYP3A4 (0.53) CYP2C9CYP3A4LMNAMAPTHTT
SCHEMBL10137756 0.79 CYP3A4 (0.51) CYP2C9CYP3A4GPR119LMNAMAPT
SCHEMBL11913129 0.78 GPR119 (0.51) CYP2C9GPR119KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 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 (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-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 CYP2C9 767/4885CYP3A4 1283/4885GPR119 1/4885

“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.