SCHEMBL3486233

SCHEMBL3486233

CS(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)Oc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.68
NPY2R P49146 4/20 0.61
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL3486427 0.90 GPR119 (0.67) GPR119NPY2RALDH1A1TSHRMAPK1
SCHEMBL3486751 0.84 GPR119 (0.76) GPR119ALDH1A1
SCHEMBL10276228 0.82 GPR119 (0.69) GPR119
SCHEMBL3486620 0.82 GPR119 (0.72) GPR119GAAALDH1A1SMN1; SMN2
SCHEMBL3486274 0.82 GPR119 (0.72) GPR119
SCHEMBL3486452 0.81 GPR119 (1.00) GPR119
SCHEMBL3486215 0.80 GPR119 (0.60) GPR119SMN1; SMN2NPC1RAB9A
SCHEMBL28785029 0.79 GAA (0.73) NPY2RGAAALOX15ALDH1A1TP53
SCHEMBL13434281 0.79 GPR119 (0.58) GPR119GAAALDH1A1TSHRNPC1
SCHEMBL3486281 0.79 GPR119 (0.68) GPR119GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US claimed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, FFAR2 GPR119 1/4885NPY2R 80/4885GAA 1488/4885

“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.