SCHEMBL304122

SCHEMBL304122

CS(=O)(=O)c1ccc(Oc2nccc(NC3CCN(C(=O)O)CC3)c2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
GPR119 Q8TDV5 9/20 0.40
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
NOS3 P29474 3/20 0.37
NPY2R P49146 1/20 0.37
PTK2 Q05397 1/20 0.37
CCR6 P51684 1/20 0.37
GCK P35557 1/20 0.37
PRKAA2 P54646 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL10137676 0.88 CYP3A4 (0.55) CYP3A4GPR119
SCHEMBL304381 0.86 GPR119 (0.47) CYP3A4GPR119NOS1NOS2NOS3
SCHEMBL304382 0.86 GPR119 (0.47) CYP3A4GPR119NOS1NOS2NOS3
SCHEMBL9972354 0.75 CYP3A4 (0.53) CYP3A4GPR119
SCHEMBL27755048 0.74 GPR119 (0.58) CYP3A4GPR119
SCHEMBL2021773 0.73 GPR119 (0.67) CYP3A4GPR119
SCHEMBL304560 0.73 NOS2 (0.44) NOS1NOS2NOS3BTK
SCHEMBL304206 0.72 CYP3A4 (0.46) CYP3A4GPR119NPY2R
SCHEMBL3748505 0.71 IKBKB (0.60)
SCHEMBL3285206 0.70 GPR119 (0.65) GPR119NPY2RPRKAA2

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-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2152707-B1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
EP-2152707-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-02-17 EP disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2008137436-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 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 (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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 CYP3A4 1283/4885GPR119 1/4885NOS1 2062/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 CYP3A4 1283/4885GPR119 1/4885NOS1 2062/4885

“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.