SCHEMBL3983476

SCHEMBL3983476

CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cn1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.39
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
MAP4K4 O95819 3/20 0.37
MINK1 Q8N4C8 3/20 0.37
TNIK Q9UKE5 2/20 0.37
EZH2 Q15910 1/20 0.37
KDM1A O60341 1/20 0.37
OXTR P30559 2/20 0.37
FAAH O00519 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ACVR1 Q04771 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL4048443 0.86 RORC (0.47) PLATPTGS2PTGS1KDM1AFAAH
SCHEMBL5084438 0.83 PLAT (0.36) PLATPTGS2PTGS1KCNH2NOS3
SCHEMBL3981756 0.81 GPR119 (0.42) MAP4K4MINK1TNIKOXTRKCNH2
SCHEMBL5079994 0.80 RORC (0.41) PLATFAAHHRH4HRH3KCNH2
SCHEMBL3981166 0.78 PTGS2 (0.41) PLATPTGS2PTGS1MAP4K4MINK1
SCHEMBL3980850 0.77 GPR119 (0.53)
SCHEMBL14190965 0.77 GPR119 (0.60)
SCHEMBL3984515 0.76 GPR119 (0.47) HRH3
SCHEMBL3984025 0.75 GPR119 (0.45)
SCHEMBL3982569 0.75 GPR119 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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 (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-20080103123-A1 New compounds GPR119, GPR139, GPR180 PLAT 4229/4885PTGS2 941/4885PTGS1 1011/4885

“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.