SCHEMBL5082880

SCHEMBL5082880

CCCN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
SLC6A2 P23975 9/20 0.40
SLC6A4 P31645 9/20 0.40
RORC P51449 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MLNR O43193 3/20 0.37
CYP2D6 P10635 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
SLC6A3 Q01959 4/20 0.36
CTSC P53634 1/20 0.36
KCNH2 Q12809 2/20 0.35
PLAT P00750 1/20 0.35

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
SCHEMBL5079994 0.85 RORC (0.41) SLC6A2SLC6A4RORCMLNRCYP2D6
SCHEMBL5079948 0.85 RORC (0.41) SLC6A2SLC6A4RORCMLNRCYP2D6
SCHEMBL3979575 0.84 GPR119 (0.45) DRD3RORCGPR119
SCHEMBL5082147 0.83 RORC (0.44) SLC6A2SLC6A4RORCNOS3NOS1
SCHEMBL3984571 0.79 GPR119 (0.53) GPR119
SCHEMBL14190988 0.79 GPR119 (0.62) GPR119
SCHEMBL3978791 0.78 GPR119 (0.55) RORCGPR119
SCHEMBL3982755 0.76 GPR119 (0.45) RORCGPR119KCNH2
SCHEMBL3977929 0.75 CYP4F2 (0.41) SLC6A2SLC6A4RORCMLNRCYP2D6
SCHEMBL3979661 0.75 GPR119 (0.49) RORCGPR119KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 DRD3 1065/4885SLC6A2 741/4885SLC6A4 923/4885

“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.