SCHEMBL3402262

SCHEMBL3402262

CCc1n[nH]c(CC)c1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
HCAR2 Q8TDS4 5/20 0.44
TTR P02766 1/20 0.42
LMNA P02545 1/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
DPP4 P27487 2/20 0.34
DPP9 Q86TI2 2/20 0.34
GABRR1 P24046 1/20 0.33
HDAC1 Q13547 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL28366701 0.80 CSNK2A2 (0.41) P2RX7HCAR2TTRLMNACSNK2A2
SCHEMBL7118321 0.78 P2RX7 (0.39) P2RX7HCAR2TTRHDAC1KCNH2
SCHEMBL1779055 0.73 TTR (0.41) P2RX7HCAR2TTRHDAC1KCNH2
SCHEMBL27814650 0.71 TTR (0.46) P2RX7HCAR2TTRLMNAHDAC1
Hydrochloric Acid SCHEMBL5287806 0.71 P2RX7 (0.36) P2RX7HCAR2TTRKCNH2
SCHEMBL28628018 0.69 HCAR2 (0.67) HCAR2
SCHEMBL12486045 0.68 HCAR2 (0.42) P2RX7HCAR2TTRKCNH2
SCHEMBL27152639 0.67 HCAR2 (0.39) P2RX7HCAR2TTRKCNH2
SCHEMBL11203864 0.67 HCAR2 (0.44) P2RX7HCAR2TTR
SCHEMBL5552192 0.66 HCAR2 (0.43) P2RX7HCAR2TTRDPP4DPP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040700-B1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed
WO-2009074519-A1 COMBINATIONS OF PYRAZOLYL OR ISOXAZOLYL P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
US-20090149524-A1 N-(Phenylmethyl)-2-(1H-Pyrazol-4-yl) Acetamide Derivatives as P2X7 Antagonists for the Treatment of Pain, Inflammation and Neurodegeneration GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
EP-2040700-A1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2007141267-A1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION GLAXO GROUP LIMITED (GB) 2007-12-13 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-20090149524-A1 N-(Phenylmethyl)-2-(1H-Pyrazol-4-yl) Acetamide Derivatives as P2X7 Antagonists for the Treatment of Pain, Inflammation and Neurodegeneration P2RX3, P2RX7, P2RX1 P2RX7 2/4885HCAR2 86/4885TTR 2410/4885

“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.