SCHEMBL13434281

SCHEMBL13434281

CS(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)Cc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.58
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55
PKM P14618 2/20 0.54
MAPT P10636 2/20 0.54
ALOX12 P18054 1/20 0.54
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
TACR3 P29371 1/20 0.49
NAMPT P43490 1/20 0.48
GFER P55789 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL10276228 0.82 GPR119 (0.69) GPR119
SCHEMBL13434277 0.82 GPR119 (0.62) GPR119MAPTGAANAMPT
SCHEMBL13434279 0.81 GPR119 (0.61) GPR119ALDH1A1PKMGAAKMT2A
SCHEMBL3486215 0.80 GPR119 (0.60) GPR119MAPTMEN1KMT2ANPC1
SCHEMBL3486233 0.79 GPR119 (0.68) GPR119ALDH1A1TSHRGAANPC1
SCHEMBL3486717 0.78 GPR119 (0.57) GPR119ALDH1A1MAPTMEN1KMT2A
SCHEMBL3486620 0.77 GPR119 (0.72) GPR119ALDH1A1MAPTGAA
SCHEMBL3486751 0.77 GPR119 (0.76) GPR119ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL13434278 0.77 GPR119 (0.72) GPR119
SCHEMBL13434285 0.76 GPR119 (0.58) GPR119RAB9A

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-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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, FFAR2 GPR119 1/4885ALDH1A1 2889/4885TSHR 894/4885

“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.