SCHEMBL2214804

SCHEMBL2214804

C[C@H](CCOc1ccc(S(C)(=O)=O)cc1)C1CCN(c2nc(CN3CCCC3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
GPR183 P32249 1/20 0.45
HRH3 Q9Y5N1 9/20 0.38
KCNH2 Q12809 2/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 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
SCHEMBL1843894 0.89 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL1847026 0.89 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL2371050 0.89 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL2217567 0.88 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL1843250 0.87 GPR119 (0.48) GPR119GPR183KCNH2
SCHEMBL2215847 0.87 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL2371173 0.85 GPR119 (0.64) GPR119GPR183KCNH2
SCHEMBL2216969 0.84 GPR119 (0.40) GPR119GPR183HRH3JAK2JAK3
SCHEMBL2371302 0.83 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL2215285 0.78 GPR119 (0.39) GPR119GPR183HRH3JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 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-20110178054-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GPR27 GPR119 1/4885GPR183 27/4885HRH3 406/4885

“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.