SCHEMBL6423039

SCHEMBL6423039

Cc1nn(CCNC(=O)O)c(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.34
AGTR1 P30556 1/20 0.33

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
SCHEMBL6419072 0.83 GAA (0.62) GAAALDH1A1NPC1POLBLMNA
SCHEMBL6424478 0.81 GAA (0.40) GAAALDH1A1NPC1POLBLMNA
SCHEMBL6418088 0.76 HTT (0.57) GAAALDH1A1NPC1POLBLMNA
SCHEMBL23398762 0.74 ADORA2A (0.46) GAAALDH1A1POLBLMNAAPAF1
SCHEMBL6422774 0.73 SMN1; SMN2 (0.40) GAAALDH1A1NPC1POLBLMNA
SCHEMBL6419170 0.71 THRA (0.36) GAAALDH1A1NPC1POLBLMNA
SCHEMBL23398731 0.71 HPGD (0.38) GAAALDH1A1NPC1POLBLMNA
SCHEMBL18141977 0.69 KDM4E (0.61) GAAALDH1A1POLBLMNAKDM4E
SCHEMBL9950753 0.69 LMNA (0.45) GAAALDH1A1NPC1LMNAKDM4E
SCHEMBL18765017 0.68 POLB (0.46) GAAALDH1A1NPC1POLBLMNA

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 4200/4885ALDH1A1 3508/4885NPC1 4513/4885

“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.