SCHEMBL10316062

SCHEMBL10316062

CCc1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
NPY5R Q15761 2/20 0.33
GPR119 Q8TDV5 2/20 0.32
DPP4 P27487 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10316069 0.88 SMN1; SMN2 (0.30) SMN1; SMN2MAPT
SCHEMBL3613818 0.84 AR (0.47)
SCHEMBL3619246 0.84 GPR119 (0.39) L3MBTL1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL10316061 0.83 NR1H2 (0.53) L3MBTL1NR1H2NR1H3MEN1KMT2A
SCHEMBL10316063 0.82 NR1H2 (0.33) L3MBTL1NR1H2NR1H3MEN1KMT2A
SCHEMBL10316059 0.82 SMN1; SMN2 (0.35) L3MBTL1L3MBTL3MEN1KMT2ASMN1; SMN2
SCHEMBL3615971 0.80 HPGD (0.41) NR1H2NR1H3MEN1KMT2ANPY5R
SCHEMBL3625847 0.79 NR1H2 (0.43) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL3624036 0.79 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2ANPY5R
SCHEMBL10316066 0.79 HRH3 (0.34) GPR119

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 L3MBTL1 4668/4885TP53BP1 1673/4885L3MBTL3 4815/4885

“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.