SCHEMBL6419170

SCHEMBL6419170

CCC(CC)COc1c(C)nn(CCNC(=O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APAF1 O14727 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.30

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 0.71 GAA (0.62) LMNAPOLBNPC1GAAKDM4E
SCHEMBL6423039 0.71 GAA (0.41) LMNAPOLBNPC1HTTGAA
SCHEMBL6424478 0.70 GAA (0.40) LMNAPOLBNPC1GAAKDM4E
SCHEMBL6418088 0.66 HTT (0.57) LMNAPOLBNPC1HTTGAA
SCHEMBL6422774 0.66 SMN1; SMN2 (0.40) LMNAPOLBNPC1HTTGAA
SCHEMBL6416396 0.64 ALDH1A1 (0.35) LMNAPOLBHTTGAAKDM4E
SCHEMBL18765017 0.61 POLB (0.46) LMNAPOLBNPC1HTTGAA
SCHEMBL18141977 0.59 KDM4E (0.61) LMNAPOLBHTTGAAKDM4E
SCHEMBL20378348 0.59 POLB (0.57) LMNAPOLBNPC1GAAKDM4E
SCHEMBL3709122 0.57 MAPK1 (0.37) POLBNPC1CYP1A2CYP2C19ALDH1A1

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 THRA 220/4885THRB 138/4885LMNA 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.