SCHEMBL3486877

SCHEMBL3486877

Nc1ccc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.53
CASP6 P55212 1/20 0.53
GPR119 Q8TDV5 7/20 0.49
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
GAA P10253 5/20 0.44
KDM4E B2RXH2 3/20 0.44
USP2 O75604 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL21855208 0.88 GFER (0.44) GFERCASP6GPR119MAPTALDH1A1
SCHEMBL17746117 0.85 TDP1 (0.55) GPR119MAPTGAAKDM4EUSP2
SCHEMBL854196 0.84 GFER (0.71) GFERCASP6MAPTALDH1A1GAA
SCHEMBL4555361 0.84 GPR119 (0.66) GPR119MAPTALDH1A1USP2HTT
SCHEMBL17264101 0.84 MAPT (0.59) GFERCASP6GPR119MAPTALDH1A1
SCHEMBL3486756 0.84 GPR119 (0.49) GPR119USP2L3MBTL1TDP1MBTD1
SCHEMBL13506522 0.84 USP2 (0.64) GPR119MAPTALDH1A1KDM4EUSP2
SCHEMBL3570969 0.83 GFER (0.53) GFERCASP6MAPTALDH1A1GAA
SCHEMBL3485750 0.81 GPR119 (0.47) GPR119GAAUSP2L3MBTL1NPC1
SCHEMBL3486788 0.81 TRIM24 (0.53) GPR119ALDH1A1KDM4ESMN1; SMN2

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-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 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-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-2112880-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-04 EP 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 (3 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 GFER 2313/4885CASP6 3598/4885GPR119 1/4885
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GFER 3231/4885CASP6 3163/4885GPR119 1/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GFER 3203/4885CASP6 3100/4885GPR119 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.