SCHEMBL6418088

SCHEMBL6418088

Cc1nn(CCNC(=O)O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 3/20 0.56
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL1079551 0.83 GAA (0.50) HTTGAAL3MBTL1POLBCYP3A4
SCHEMBL1521469 0.82 HTT (0.56) HTTGAAL3MBTL1POLBCYP3A4
SCHEMBL12479809 0.80 HTT (0.55) HTTGAAL3MBTL1POLBCYP3A4
SCHEMBL2760498 0.78 POLB (0.65) HTTGAAL3MBTL1POLBCYP3A4
SCHEMBL18354808 0.78 NPC1 (0.56) HTTPOLBCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL16943099 0.76 NPC1 (0.55) HTTGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL6419072 0.76 GAA (0.62) GAAL3MBTL1POLBCYP3A4ALDH1A1
SCHEMBL6423039 0.76 GAA (0.41) HTTGAAL3MBTL1POLBCYP3A4
SCHEMBL8657291 0.76 HTT (0.57) HTTL3MBTL1POLBCYP3A4ALDH1A1
SCHEMBL6424478 0.75 GAA (0.40) GAAL3MBTL1POLBCYP3A4ALDH1A1

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 HTT 3947/4885GAA 4200/4885L3MBTL1 1923/4885

“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.