SCHEMBL5772349

SCHEMBL5772349

Cn1c(=O)c2c(nc(N3CCN(C(=O)O)CC3)n2-c2ccccc2C=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
MAOB P27338 2/20 0.47
ALDH1A1 P00352 10/20 0.46
HIF1A Q16665 1/20 0.45
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
DPP4 P27487 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL5718982 0.87 HTR2A (0.42) HTR2AMAOBALDH1A1HIF1ALMNA
SCHEMBL5771254 0.86 HTR2A (0.50) HTR2AMAOBALDH1A1HIF1ALMNA
Trifluoroacetic Acid SCHEMBL5719045 0.83 DPP4 (0.53) HTR2AALDH1A1HIF1ALMNANPSR1
SCHEMBL5718837 0.79 HTR2A (0.41) HTR2AMAOBALDH1A1HIF1ALMNA
SCHEMBL5719239 0.78 HTR2A (0.40) HTR2AMAOBALDH1A1HIF1ALMNA
SCHEMBL5719240 0.78 HTR2A (0.40) HTR2AMAOBALDH1A1HIF1ALMNA
SCHEMBL5789166 0.76 DPP4 (0.58) HTR2AALDH1A1LMNANPSR1KMT2A
Trifluoroacetic Acid SCHEMBL5719238 0.75 DPP4 (0.52) HTR2AALDH1A1HIF1ALMNANPSR1
SCHEMBL5719352 0.75 HTR2A (0.45) HTR2AMAOBALDH1A1HIF1ALMNA
Trifluoroacetic Acid SCHEMBL5719321 0.75 DPP4 (0.52) HTR2AALDH1A1HIF1ALMNANPSR1

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 1018/4885MAOB 4207/4885ALDH1A1 3230/4885

“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.