SCHEMBL3322685

SCHEMBL3322685

Cc1nn(-c2ccccc2)cc1CN1CCN(c2nccnc2-c2ccc(CCl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.61
DRD4 P21917 3/20 0.61
DRD3 P35462 3/20 0.61
KDM4E B2RXH2 5/20 0.47
PLA2G7 Q13093 1/20 0.44
MGLL Q99685 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
OPRM1 P35372 3/20 0.43
KCNH2 Q12809 3/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL3319671 0.91 DRD2 (0.60) DRD2DRD4DRD3KDM4EPLA2G7
Hydrochloric Acid SCHEMBL3320448 0.91 DRD2 (0.59) DRD2DRD4DRD3KDM4EPLA2G7
SCHEMBL3325594 0.90 DRD2 (0.61) DRD2DRD4DRD3KDM4EPLA2G7
SCHEMBL9961656 0.88 DRD2 (0.64) DRD2DRD4DRD3KDM4EPLA2G7
SCHEMBL9961899 0.88 DRD2 (0.58) DRD2DRD4DRD3KDM4EPLA2G7
SCHEMBL3322376 0.87 DRD2 (0.55) DRD2DRD4DRD3KDM4EPLA2G7
Hydrochloric Acid SCHEMBL3321181 0.87 DRD2 (0.62) DRD2DRD4DRD3KDM4EPLA2G7
Hydrochloric Acid SCHEMBL3322098 0.87 DRD2 (0.57) DRD2DRD4DRD3KDM4EPLA2G7
SCHEMBL9961684 0.86 DRD2 (0.60) DRD2DRD4DRD3KDM4EPLA2G7
Hydrochloric Acid SCHEMBL3327438 0.85 DRD2 (0.59) DRD2DRD4DRD3KDM4EPLA2G7

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 DRD2 294/4885DRD4 371/4885DRD3 387/4885

“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.