SCHEMBL3487510

SCHEMBL3487510

N#Cc1ccc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GPR119 Q8TDV5 6/20 0.47
PANK3 Q9H999 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
POLB P06746 1/20 0.45
FFAR2 O15552 1/20 0.45
CHRM4 P08173 2/20 0.43
PARP1 P09874 1/20 0.43
DPP4 P27487 1/20 0.42

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
SCHEMBL1779457 0.86 KDM4E (0.59) KDM4ETP53PANK3CTSSCTSK
SCHEMBL4513562 0.82 CHRM4 (0.54) POLBCHRM4
SCHEMBL17746117 0.81 TDP1 (0.55) KDM4EGPR119
SCHEMBL3486554 0.80 GPR119 (0.73) GPR119
SCHEMBL13506522 0.80 USP2 (0.64) KDM4ETP53GPR119
SCHEMBL3486877 0.80 GFER (0.53) KDM4ETP53GPR119POLB
SCHEMBL3486756 0.80 GPR119 (0.49) GPR119
SCHEMBL321690 0.80 NOTUM (0.58) KDM4ETP53CTSSCTSKPOLB
SCHEMBL3486555 0.79 HRH3 (0.43) GPR119HRH3
SCHEMBL6538634 0.78 KDM4E (0.53) KDM4ETP53GPR119HRH3PARP1

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 4 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

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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, FFAR2 KDM4E 4135/4885TP53 4432/4885GPR119 1/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KDM4E 4616/4885TP53 3721/4885GPR119 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.