SCHEMBL6417752

SCHEMBL6417752

CCC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.45
GSK3B P49841 1/20 0.45
MAPK1 P28482 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CES1 P23141 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.42
IDO1 P14902 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
SCHEMBL10926758 0.94 MEN1 (0.49) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL12220063 0.84 MMP2 (0.48) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL17178027 0.84 MMP2 (0.48) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL1862886 0.83 LMNA (0.54) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL3091161 0.82 TSHR (0.53) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL8102675 0.81 GSK3B (0.53) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL2672728 0.81 MAPT (0.59) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL14374796 0.80 KMT2A (0.46) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL10999834 0.80 MEN1 (0.51) MEN1KMT2ALMNATSHRLOXL2
SCHEMBL8102671 0.79 LMNA (0.50) MEN1KMT2ALMNATSHRLOXL2

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 3 patents. 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
EP-1465871-A1 PYRAZOLE DERIVATIVES FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR Bayer Corporation (US) 2004-10-13 EP disclosed
WO-2003057673-A1 1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 WO 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 MEN1 1217/4885KMT2A 305/4885LMNA 2143/4885

“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.