SCHEMBL5771254

SCHEMBL5771254

Cn1c(=O)c2c(nc(N3CCN(C(=O)O)CC3)n2-c2ccccc2Cl)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
DPP4 P27487 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 8/20 0.48
NPSR1 Q6W5P4 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MAOB P27338 3/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL6380827 0.87 L3MBTL1 (0.48) DPP4L3MBTL1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5719246 0.87 L3MBTL1 (0.45) HTR2ADPP4L3MBTL1ALDH1A1NPSR1
SCHEMBL5772349 0.86 HTR2A (0.48) HTR2ADPP4L3MBTL1ALDH1A1NPSR1
SCHEMBL5719678 0.84 DPP4 (0.68) HTR2ADPP4L3MBTL1ALDH1A1NPSR1
SCHEMBL6383562 0.84 L3MBTL1 (0.56) DPP4L3MBTL1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6381744 0.84 GRM5 (0.40) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAPK1
SCHEMBL4177681 0.83 L3MBTL1 (0.40) DPP4L3MBTL1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5719021 0.78 L3MBTL1 (0.42) DPP4L3MBTL1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6409570 0.78 MAOB (0.38) DPP4L3MBTL1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5792563 0.77 DPP4 (0.56) DPP4L3MBTL1ALDH1A1NPSR1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 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 (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-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 HTR2A 1018/4885DPP4 1/4885L3MBTL1 4196/4885

“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.