SCHEMBL3487700

SCHEMBL3487700

Cc1ncc(F)c(N2CCC(C3CCN(c4ncccn4)CC3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GPR119 Q8TDV5 4/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 1/20 0.39
MALT1 Q9UDY8 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL3486741 0.89 KDM4E (0.47) TSHRMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL3625073 0.87 KDM4E (0.45) TSHRMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL10316045 0.84 HCRTR2 (0.46) TSHRALDH1A1KDM4EGPR119KMT2A
SCHEMBL3626387 0.82 SMN1; SMN2 (0.40) TSHRMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL10316043 0.81 GPR119 (0.48) MAPTKDM4EGPR119KCNH2LMNA
SCHEMBL3622953 0.80 IDO1 (0.44) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4555145 0.79 SMN1; SMN2 (0.38) TSHRMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL3623896 0.76 GPR119 (0.41) KDM4EGPR119KCNH2
SCHEMBL3625360 0.76 GPR119 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EGPR119
SCHEMBL13505965 0.76 SMN1; SMN2 (0.36) TSHRMAPTSMN1; SMN2ALDH1A1GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US claimed
US-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US claimed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US claimed
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
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-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 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
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 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-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO 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 TSHR 894/4885MAPT 4072/4885SMN1; SMN2 3131/4885
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 TSHR 806/4885MAPT 3957/4885SMN1; SMN2 2799/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 TSHR 759/4885MAPT 3863/4885SMN1; SMN2 3170/4885

“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.