SCHEMBL3322191

SCHEMBL3322191

Fc1ccccc1-c1ncccc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.57
HTR1A P08908 7/20 0.56
HTR6 P50406 2/20 0.56
HTR3A P46098 2/20 0.56
HTR2B P41595 1/20 0.56
SLC6A4 P31645 3/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
SLC6A2 P23975 4/20 0.51
HTR5A P47898 1/20 0.49
SLC6A3 Q01959 1/20 0.48
EPHX2 P34913 1/20 0.47
PLD1 Q13393 1/20 0.46
ADRB1 P08588 2/20 0.45
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44

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
Tert-Butyl Formate SCHEMBL27814617 0.86 HTR7 (0.44) HTR7HTR1AHTR6HTR3AHTR2B
SCHEMBL3094152 0.82 HTR7 (0.72) HTR7HTR1AHTR6SLC6A4HTR2A
SCHEMBL3322321 0.81 HTR7 (0.50) HTR7HTR1AHTR6HTR3AHTR2B
Hydrochloric Acid SCHEMBL2333998 0.80 HTR7 (0.49) HTR7HTR1AHTR6HTR3AHTR2B
SCHEMBL3322616 0.79 EPHX2 (0.56) HTR7HTR1AHTR6HTR3AHTR2B
SCHEMBL3323075 0.79 HTR7 (0.58) HTR7HTR1AHTR6HTR2BSLC6A4
SCHEMBL3322934 0.79 KDM4E (0.49)
SCHEMBL3321125 0.78 HTR7 (0.60) HTR7HTR1AHTR6HTR3AHTR2B
SCHEMBL21384494 0.77 HTR2A (0.61) HTR7HTR1ASLC6A4HTR2AHTR2C
SCHEMBL234734 0.76 ADRB1 (0.62) HTR7HTR1AHTR6HTR3AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101861312-B 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 2014-09-03 CN disclosed
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
CN-101861312-A 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 2010-10-13 CN 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 HTR7 1/4885HTR1A 4/4885HTR6 14/4885

“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.