SCHEMBL6419072

SCHEMBL6419072

Cc1nn(CCNC(=O)O)c(C)c1N

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.62
KDM4E B2RXH2 2/20 0.46
GFER P55789 1/20 0.41
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38
APAF1 O14727 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6423039 0.83 GAA (0.41) GAAKDM4EALDH1A1KMT2ALMNA
SCHEMBL6424478 0.81 GAA (0.40) GAAKDM4EALDH1A1KMT2ALMNA
SCHEMBL6418088 0.76 HTT (0.57) GAAALDH1A1LMNACYP3A4POLB
SCHEMBL12479057 0.76 GAA (0.56) GAAKDM4EGFERSLC2A1ALDH1A1
SCHEMBL10940099 0.74 GAA (0.53) GAAKDM4EGFERSLC2A1ALDH1A1
SCHEMBL6422774 0.73 SMN1; SMN2 (0.40) GAAKDM4EALDH1A1LMNACYP1A2
SCHEMBL16943100 0.72 GAA (0.52) GAAKDM4EGFERSLC2A1ALDH1A1
SCHEMBL6419170 0.71 THRA (0.36) GAAKDM4EALDH1A1LMNACYP1A2
SCHEMBL2066457 0.69 GAA (0.49) GAAKDM4EGFERSLC2A1ALDH1A1
SCHEMBL17164741 0.69 GAA (0.49) GAAKDM4EGFERSLC2A1ALDH1A1

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-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-02 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-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction HTR2C, GPR119, HTR2B GAA 4200/4885KDM4E 297/4885GFER 3812/4885

“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.