SCHEMBL3984237

SCHEMBL3984237

C[S+]([O-])c1ccc(-c2ccc(CN(C3CC3)C3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 1/20 0.36
HTR5A P47898 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MCHR1 Q99705 4/20 0.34
HTR2C P28335 3/20 0.34
KCNH2 Q12809 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KLF5 Q13887 1/20 0.33

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
SCHEMBL5083361 0.88 GPR119 (0.54) GPR119
SCHEMBL3988664 0.88 GPR119 (0.46) GPR119
SCHEMBL3980193 0.86 GPR119 (0.50) GPR119SMN1; SMN2NPC1RAB9AKCNH2
SCHEMBL3983148 0.84 GPR119 (0.47) GPR119SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3983937 0.83 GPR119 (0.47) GPR119SMN1; SMN2NPC1RAB9AKCNH2
SCHEMBL4370580 0.78 ATR (0.34) GPR119MCHR1
SCHEMBL3981425 0.76 KMT2A (0.44) ALDH1A1
SCHEMBL3984054 0.76 GPR119 (0.48) GPR119KCNH2
SCHEMBL3986034 0.76 GPR119 (0.52) GPR119
SCHEMBL3980484 0.75 GPR119 (0.45) GPR119SMN1; SMN2NPC1RAB9ATP53

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
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 GPR119 1/4885SMN1; SMN2 3079/4885NPC1 597/4885

“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.