SCHEMBL3323030

SCHEMBL3323030

CC(c1cn[nH]c1)N1CCN(c2nccnc2-c2cccc(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PKM P14618 1/20 0.38
OGA O60502 4/20 0.37
ALDH1A1 P00352 1/20 0.37
STK4 Q13043 4/20 0.37
STK3 Q13188 4/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
LRRK2 Q5S007 2/20 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
Hydrochloric Acid SCHEMBL3325646 0.88 OGA (0.40) PIK3CDPIK3CAPIK3CGOGASTK4
SCHEMBL3324121 0.88 RPS6KB1 (0.42) PDE4BPIK3CDPIK3CAPIK3CGOGA
SCHEMBL3322945 0.87 AKT1 (0.38) PIK3CDPIK3CAPIK3CGOGALRRK2
Hydrochloric Acid SCHEMBL3323677 0.86 AURKA (0.40) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3321856 0.86 RPS6KB1 (0.45) PIK3CDPIK3CAPIK3CGOGA
SCHEMBL3320078 0.85 OGA (0.44) PDE4BOGA
SCHEMBL3324899 0.85 RPS6KB1 (0.44) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3327173 0.84 CNR1 (0.42) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3320166 0.84 OGA (0.40) OGALRRK2
SCHEMBL3327150 0.84 RPS6KB1 (0.45) PIK3CDPIK3CAPIK3CGOGALRRK2

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
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

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 PDE4B 546/4885KDM4E 1816/4885L3MBTL1 4103/4885

“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.