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Sugi Predict / Compounds / SCHEMBL3485852

SCHEMBL3485852

SCHEMBL3485852

Cc1ncc(F)c(N2CCC(C3CCN(C(=O)OCC(Cl)(Cl)Cl)CC3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR119 Q8TDV5 10/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35

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
SCHEMBL3486846 0.91 MEN1 (0.44) MEN1KMT2AGPR119AOC3HTT
SCHEMBL3486743 0.83 GPR119 (0.58) GPR119AOC3
SCHEMBL4555145 0.80 SMN1; SMN2 (0.38) KMT2AGPR119AOC3HPGDKDM4E
SCHEMBL3488239 0.74 GPR119 (0.57) GPR119MAPTSMN1; SMN2
SCHEMBL3486398 0.72 GPR119 (0.58) GPR119CDK2
SCHEMBL3485971 0.72 GPR119 (0.60) GPR119
SCHEMBL14138632 0.72 GPR119 (0.57) GPR119AOC3
SCHEMBL3626387 0.71 SMN1; SMN2 (0.40) KMT2AGPR119HPGDKDM4EALDH1A1
SCHEMBL3487124 0.71 GPR119 (0.56) GPR119ALDH1A1
SCHEMBL3487700 0.70 TSHR (0.44) KMT2AGPR119HPGDKDM4EALDH1A1

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 MEN1 4599/4885KMT2A 4306/4885GPR119 1/4885

“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.