SCHEMBL3327155

SCHEMBL3327155

Cn1cc(CN2CCN(c3nccnc3-c3ccc(Cl)c(F)c3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.44
KCNH2 Q12809 4/20 0.40
RET P07949 4/20 0.40
AXL P30530 2/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
GRIN1 Q05586 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3321863 0.92 AXL (0.48) GRIN2BKCNH2RETAXLKDM4E
SCHEMBL3324902 0.91 GRIN2B (0.43) GRIN2BKCNH2RETAXLKDM4E
SCHEMBL3320167 0.91 GRIN2B (0.48) GRIN2BKCNH2RETAXLKDM4E
SCHEMBL3323690 0.89 GRIN2B (0.51) GRIN2BKCNH2RETAXLKDM4E
SCHEMBL9961775 0.86 MAP4K1 (0.39) GRIN2BKCNH2RETGRIN1DRD2
SCHEMBL3322948 0.85 KCNH2 (0.51) KCNH2RETKDM4EPKMALDH1A1
SCHEMBL9961734 0.85 DRD2 (0.46) GRIN2BRETKDM4EGRIN1ALDH1A1
Hydrochloric Acid SCHEMBL3319293 0.84 DRD2 (0.46) GRIN2BRETKDM4EGRIN1ALDH1A1
SCHEMBL3324123 0.83 DRD2 (0.52) RETKDM4EPKMALDH1A1L3MBTL1
SCHEMBL3323036 0.83 KDM4E (0.56) RETAXLKDM4EPKMALDH1A1

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 9 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
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-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-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
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
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
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 GRIN2B 221/4885KCNH2 207/4885RET 1756/4885

“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.