SCHEMBL3323797

SCHEMBL3323797

CCc1nn(-c2ccccn2)c(CC)c1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
PLK4 O00444 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
INSR P06213 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
IRAK1 P51617 1/20 0.36
CDK5 Q00535 1/20 0.36
MAP4K2 Q12851 1/20 0.36
STK3 Q13188 1/20 0.36
PRKG2 Q13237 1/20 0.36

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
SCHEMBL3322105 0.86 FFAR4 (0.40) FFAR4PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL3323539 0.78 ALDH1A1 (0.47) FFAR4ALDH1A1HPGDRAB9ANPC1
SCHEMBL11397120 0.71 S1PR4 (0.39) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL12424063 0.65 RAB9A (0.48) FFAR4ALDH1A1HPGDRAB9ANPC1
SCHEMBL29951140 0.65 FFAR4 (0.40) FFAR4PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL12713155 0.65 ALDH1A1 (0.41) FFAR4PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL732917 0.64 FFAR4 (0.42) FFAR4PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL9293879 0.64 ALDH1A1 (0.42) FFAR4PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL11187731 0.64 ALDH1A1 (0.40) FFAR4PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL122881 0.64 ALDH1A1 (0.52) FFAR4ALDH1A1HPGDRAB9ANPC1

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-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 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-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 FFAR4 206/4885PLK4 1730/4885ROCK2 3112/4885

“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.