SCHEMBL3979944

SCHEMBL3979944

CS(=O)(=O)c1ccc(-c2ccc(CN(CC3CCCO3)C3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.45
AVPR1A P37288 3/20 0.45
GPR119 Q8TDV5 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
STAT3 P40763 1/20 0.36
TNK2 Q07912 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR183 P32249 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
SCHEMBL14190982 0.89 GPR119 (0.56) GPR119
SCHEMBL3987221 0.87 GPR119 (0.45) GPR119STAT3GPR183
SCHEMBL3979661 0.85 GPR119 (0.49) GPR119SMN1; SMN2ALDH1A1
SCHEMBL3979575 0.84 GPR119 (0.45) GPR119SMN1; SMN2
SCHEMBL3982755 0.84 GPR119 (0.45) GPR119STAT3KMT2A
SCHEMBL3981709 0.83 RORC (0.47) GPR119KMT2AGPR183
SCHEMBL3981545 0.83 GPR119 (0.45) GPR119STAT3KMT2A
SCHEMBL3983937 0.82 GPR119 (0.47) GPR119SMN1; SMN2STAT3
SCHEMBL3979497 0.82 GPR119 (0.45) GPR119STAT3
SCHEMBL3982912 0.82 GPR119 (0.46) GPR119STAT3

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 claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
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
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 OXTR 88/4885AVPR1A 187/4885GPR119 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.