SCHEMBL10316045

SCHEMBL10316045

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.46
SMO Q99835 5/20 0.44
GPR119 Q8TDV5 5/20 0.43
KCNH2 Q12809 2/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C19 P33261 1/20 0.39
MALT1 Q9UDY8 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL926275 0.89 GPR119 (0.51) HCRTR2SMOGPR119KCNH2
SCHEMBL3623896 0.87 GPR119 (0.41) HCRTR2SMOGPR119KCNH2KDM4E
SCHEMBL3617071 0.87 GPR119 (0.41) HCRTR2SMOGPR119KCNH2
SCHEMBL14138641 0.87 GPR119 (0.41) HCRTR2SMOGPR119KCNH2
SCHEMBL3487700 0.84 TSHR (0.44) GPR119KCNH2TSHRKDM4ECYP2C19
SCHEMBL10316044 0.81 GPR119 (0.48) HCRTR2GPR119KDM4E
SCHEMBL3622680 0.78 GPR119 (0.53) HCRTR2SMOGPR119KCNH2KDM4E
SCHEMBL3627148 0.76 GPR119 (0.51) HCRTR2SMOGPR119KCNH2KDM4E
SCHEMBL3486398 0.73 GPR119 (0.58) HCRTR2GPR119
SCHEMBL3486741 0.73 KDM4E (0.47) GPR119KCNH2TSHRKDM4EKMT2A

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-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-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 HCRTR2 209/4885SMO 1215/4885GPR119 1/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 HCRTR2 212/4885SMO 1568/4885GPR119 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.