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Sugi Predict / Compounds / SCHEMBL3486846

SCHEMBL3486846

SCHEMBL3486846

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR119 Q8TDV5 8/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RIN1 Q13671 1/20 0.37

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
SCHEMBL3485852 0.91 MEN1 (0.41) MEN1KMT2AHPGDSMN1; SMN2GPR119
SCHEMBL3486743 0.84 GPR119 (0.58) GPR119AOC3
SCHEMBL4555145 0.81 SMN1; SMN2 (0.38) KMT2AHPGDSMN1; SMN2GPR119AOC3
SCHEMBL3485971 0.73 GPR119 (0.60) GPR119
SCHEMBL3488239 0.72 GPR119 (0.57) SMN1; SMN2GPR119MAPT
SCHEMBL14138632 0.72 GPR119 (0.57) GPR119AOC3
SCHEMBL3626387 0.72 SMN1; SMN2 (0.40) KMT2AHPGDSMN1; SMN2GPR119HSD17B10
SCHEMBL3487124 0.72 GPR119 (0.56) GPR119ALDH1A1
SCHEMBL3486741 0.71 KDM4E (0.47) KMT2AHPGDSMN1; SMN2GPR119HSD17B10
SCHEMBL3487700 0.71 TSHR (0.44) KMT2AHPGDSMN1; SMN2GPR119HSD17B10

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 4306/4885HPGD 1204/4885

“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.