SCHEMBL3625073

SCHEMBL3625073

Cc1ncc(F)c(N2CCC(C3CCN(c4ncc(Br)cn4)CC3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
KCNH2 Q12809 2/20 0.40
CXCR3 P49682 1/20 0.35
OPRK1 P41145 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ACACB O00763 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PANK3 Q9H999 1/20 0.33

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 0.90 KDM4E (0.47) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL3487700 0.87 TSHR (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL3617071 0.85 GPR119 (0.41) GPR119KCNH2CXCR3OPRK1ABL1
SCHEMBL3626387 0.80 SMN1; SMN2 (0.40) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL3623569 0.78 SMN1; SMN2 (0.35) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL4555145 0.77 SMN1; SMN2 (0.38) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL3623896 0.77 GPR119 (0.41) KDM4EGPR119KCNH2
SCHEMBL10316043 0.76 GPR119 (0.48) KDM4EMAPTGPR119KCNH2L3MBTL1
SCHEMBL3622953 0.75 IDO1 (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13505965 0.74 SMN1; SMN2 (0.36) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1

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 10 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-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-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-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
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 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 (2 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-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KDM4E 4611/4885MAPT 3957/4885TSHR 806/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KDM4E 4616/4885MAPT 3863/4885TSHR 759/4885

“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.