SCHEMBL3323770

SCHEMBL3323770

O=C(O)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
SLC6A7 Q99884 1/20 0.44
KIT P10721 8/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MAPK7 Q13164 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
KCNA5 P22460 1/20 0.41
MAPK1 P28482 2/20 0.41
PI4KB Q9UBF8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3668374 0.85 GPR119 (0.52) TRPV1KITHRH2HRH1
SCHEMBL3319476 0.81 KMT2A (0.47) HRH2HRH1MAPK1KDM4EMAPT
SCHEMBL3322515 0.81 PDGFRB (0.42) KITMAPK1KDM4EMAPT
SCHEMBL3320915 0.80 SMO (0.51) SLC6A7MAPK1KDM4E
SCHEMBL3322721 0.80 EPHX2 (0.48) KDM4EMAPT
SCHEMBL3322612 0.79 SMO (0.51) TRPV1SLC6A7MAPK1MAPT
SCHEMBL5238137 0.79 KCNA5 (0.58) SLC6A7HRH2HRH1KCNA5MAPK1
SCHEMBL5232866 0.78 PANK3 (0.47) SLC6A7HRH2HRH1BCHEACHE
SCHEMBL9104053 0.77 KCNA5 (0.62) KCNA5MAPK1MAPT
SCHEMBL3319285 0.76 SLC6A7 (0.51) SLC6A7KITHRH2HRH1KDM4E

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 2 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-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 TRPV1 40/4885SLC6A7 413/4885KIT 184/4885

“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.