SCHEMBL10316005

SCHEMBL10316005

c1ccc(N2CCC(C3CCN(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GPR119 Q8TDV5 1/20 0.56
LMNA P02545 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
NOTUM Q6P988 1/20 0.52
CHRNA7 P36544 2/20 0.50
GRIN2B Q13224 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CHRNB2 P17787 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL10315999 0.91 L3MBTL3 (0.58) MBTD1L3MBTL3L3MBTL1GPR119LMNA
SCHEMBL10316004 0.88 SIGMAR1 (0.64) MBTD1L3MBTL3L3MBTL1GPR119LMNA
SCHEMBL20082992 0.88 MBTD1 (0.50) MBTD1L3MBTL3L3MBTL1GPR119LMNA
SCHEMBL5412058 0.86 MBTD1 (0.57) MBTD1L3MBTL3L3MBTL1GPR119LMNA
SCHEMBL31175194 0.83 NOTUM (0.51) MBTD1L3MBTL3L3MBTL1GPR119NOTUM
SCHEMBL4477880 0.83 MBTD1 (0.59) MBTD1L3MBTL3L3MBTL1LMNAHTR3E
SCHEMBL14336874 0.82 LMNA (0.52) MBTD1L3MBTL3L3MBTL1GPR119LMNA
SCHEMBL13434096 0.82 GPR119 (0.65) GPR119NOTUMCYP3A4ALOX15MAPK1
SCHEMBL9071141 0.81 MBTD1 (0.57) MBTD1L3MBTL3L3MBTL1LMNAHTR3E
SCHEMBL3537362 0.81 MBTD1 (0.57) MBTD1L3MBTL3L3MBTL1LMNAHTR3E

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 3 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-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

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 MBTD1 2709/4885L3MBTL3 4837/4885L3MBTL1 4725/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 MBTD1 2595/4885L3MBTL3 4815/4885L3MBTL1 4668/4885

“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.