SCHEMBL6418878

SCHEMBL6418878

Cc1n[nH]c(C)c1Oc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.59
ALPL P05186 2/20 0.59
ENPP1 P22413 2/20 0.59
XIAP P98170 2/20 0.59
HAO1 Q9UJM8 2/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
IKBKB O14920 1/20 0.41
MAP3K14 Q99558 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALOX12 P18054 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
P2RX7 Q99572 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39

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
SCHEMBL509030 0.82 ENPP3 (0.55) ENPP3ALPLENPP1XIAPIKBKB
SCHEMBL4239165 0.82 ENPP3 (0.59) ENPP3ALPLENPP1XIAPMAPT
SCHEMBL4104852 0.78 ENPP3 (0.55) ENPP3ALPLENPP1XIAPMAPT
SCHEMBL4235277 0.74 AR (0.57) ENPP3ALPLENPP1XIAPMAPT
SCHEMBL4881284 0.73 MEN1 (0.79) MAPTMEN1KMT2AALOX12LMNA
SCHEMBL509165 0.72 KCNH2 (0.58) ENPP3ALPLENPP1XIAPMAPT
SCHEMBL4879474 0.72 MEN1 (0.77) MAPTMEN1KMT2AALOX12LMNA
SCHEMBL6264652 0.71 FPR2 (0.50) ENPP3ALPLENPP1XIAPFPR2
SCHEMBL20489253 0.71 ENPP3 (0.50) ENPP3ALPLENPP1XIAPFPR2
SCHEMBL24962586 0.68 IKBKB (0.68) IKBKBMAP3K14MAPTMEN1KMT2A

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 ENPP3 3164/4885ALPL 4116/4885ENPP1 3607/4885

“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.