SCHEMBL3327173

SCHEMBL3327173

CC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
OGA O60502 5/20 0.35
AURKA O14965 2/20 0.35
TRPC5 Q9UL62 1/20 0.35
RPS6KB1 P23443 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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 SCHEMBL3320158 0.88 CYP2D6 (0.36) CNR1CNR2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3323677 0.87 AURKA (0.40) CYP2D6PIK3CDPIK3CAPIK3CGOGA
Hydrochloric Acid SCHEMBL3319728 0.87 OGA (0.37) OGAAURKATRPC5RPS6KB1LRRK2
SCHEMBL3323030 0.84 PDE4B (0.41) PIK3CDPIK3CAPIK3CGOGALRRK2
SCHEMBL3322945 0.84 AKT1 (0.38) CNR1CNR2PIK3CDPIK3CAPIK3CG
SCHEMBL3322566 0.84 OGA (0.39) PIK3CDPIK3CAPIK3CGOGARPS6KB1
SCHEMBL3324899 0.82 RPS6KB1 (0.44) PIK3CDPIK3CAPIK3CGOGARPS6KB1
SCHEMBL3321649 0.81 OGA (0.39) OGA
SCHEMBL3321856 0.81 RPS6KB1 (0.45) PIK3CDPIK3CAPIK3CGOGARPS6KB1
SCHEMBL3327150 0.81 RPS6KB1 (0.45) PIK3CDPIK3CAPIK3CGOGARPS6KB1

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 CNR1 20/4885CNR2 17/4885CYP2D6 704/4885

“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.