SCHEMBL3486440

SCHEMBL3486440

Cc1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 1.00
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL15441763 0.89 GPR119 (0.81) GPR119ALDH1A1LMNAMAPT
SCHEMBL3486968 0.88 GPR119 (0.79) GPR119ALDH1A1LMNAMAPT
SCHEMBL3486612 0.88 GPR119 (0.79) GPR119KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10036433 0.88 GPR119 (0.79) GPR119ALDH1A1LMNAMAPT
SCHEMBL3488062 0.88 GPR119 (0.79) GPR119ALDH1A1LMNAMAPT
SCHEMBL3486768 0.88 GPR119 (1.00) GPR119ALDH1A1LMNAMAPT
SCHEMBL2056118 0.87 GPR119 (0.77) GPR119KMT2AMEN1CYP2C19SMN1; SMN2
SCHEMBL3486856 0.87 GPR119 (1.00) GPR119KMT2AMEN1ALDH1A1LMNA
SCHEMBL2945397 0.87 GPR119 (0.81) GPR119KMT2AALDH1A1LMNAMAPT
SCHEMBL10316026 0.87 GPR119 (0.77) GPR119SMN1; SMN2ALDH1A1LMNAMAPT

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 7 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 disclosed
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
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 1/4885KMT2A 4306/4885MEN1 4599/4885

“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.