SCHEMBL13434285

SCHEMBL13434285

COC(C(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.58
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.46
USP9X Q93008 1/20 0.45
AURKA O14965 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
BCR P11274 1/20 0.43
FGFR1 P11362 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL3486717 0.87 GPR119 (0.57) GPR119CYP3A4USP9X
SCHEMBL10276228 0.80 GPR119 (0.69) GPR119
SCHEMBL3486751 0.79 GPR119 (0.76) GPR119
SCHEMBL3486233 0.79 GPR119 (0.68) GPR119RAB9AMAPK1CYP3A4
SCHEMBL3486406 0.78 GPR119 (0.57) GPR119CYP3A4
SCHEMBL3486407 0.78 GPR119 (0.57) GPR119CYP3A4
SCHEMBL3486215 0.77 GPR119 (0.60) GPR119RAB9A
SCHEMBL3486274 0.77 GPR119 (0.72) GPR119
SCHEMBL13434281 0.76 GPR119 (0.58) GPR119RAB9A
SCHEMBL3486620 0.75 GPR119 (0.72) GPR119

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 1/4885RAB9A 1502/4885MAPK1 2666/4885

“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.