SCHEMBL3323014

SCHEMBL3323014

Clc1nccnc1N1CCN(C(c2ccccc2)c2cn[nH]c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
EGFR P00533 1/20 0.39
GAA P10253 1/20 0.39
CHRM2 P08172 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 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
SCHEMBL124745 0.87 RPS6KB1 (0.43) ALDH1A1POLBKDM4ENPSR1EGFR
SCHEMBL123222 0.87 MCOLN2 (0.40) ACHEOPRM1MAPT
SCHEMBL126154 0.82 SLC6A4 (0.41) MEN1KMT2ASLC6A2SLC6A4HRH3
Hydrochloric Acid SCHEMBL3325655 0.81 RPS6KB1 (0.43) ALDH1A1POLBKDM4ENPSR1MEN1
SCHEMBL128141 0.81 RPS6KB1 (0.39) ACHEMAPT
SCHEMBL3321649 0.81 OGA (0.39)
SCHEMBL3317828 0.79 ALDH1A1 (0.47) ALDH1A1POLBKDM4ENPSR1MEN1
SCHEMBL124436 0.79 NPSR1 (0.41) ALDH1A1POLBKDM4ENPSR1MEN1
Hydrochloric Acid SCHEMBL3322039 0.78 MEN1 (0.39) ALDH1A1POLBKDM4ENPSR1MEN1
Hydrochloric Acid SCHEMBL3325769 0.77 ACHE (0.39) ALDH1A1POLBKDM4ENPSR1MEN1

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 ALDH1A1 1205/4885POLB 4425/4885KDM4E 1816/4885

“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.