SCHEMBL2334422

SCHEMBL2334422

NCCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 4/20 0.41
DRD2 P14416 4/20 0.41
DRD1 P21728 4/20 0.41
HTR2A P28223 4/20 0.41
DRD3 P35462 4/20 0.41
DRD5 P21918 3/20 0.41
RPS6KB1 P23443 3/20 0.41
GRIA1 P42261 1/20 0.41
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA2C P18825 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
SCHEMBL2336011 0.83 CARM1 (0.43) HRH1HRH2HRH3HTR1ADRD2
SCHEMBL3322940 0.82 DRD2 (0.44) DRD2DRD3RPS6KB1KDM4EDRD4
Hydrochloric Acid SCHEMBL3153060 0.82 CARM1 (0.43) HRH1HRH2HRH3HTR1ADRD2
SCHEMBL3148998 0.80 HRH1 (0.39) HRH1HRH2HRH3HTR1ADRD2
Hydrochloric Acid SCHEMBL3153055 0.79 HRH1 (0.38) HRH1HRH2HRH3HTR1ADRD2
SCHEMBL2336108 0.77 HTR1A (0.49) HTR1ADRD2HTR2ADRD3KDM4E
SCHEMBL14014785 0.77 DRD2 (0.45) HTR1ADRD2DRD3RPS6KB1KDM4E
SCHEMBL14519691 0.76 MAPK14 (0.52) HRH1HRH2HRH3MAPK13MAPK12
SCHEMBL9961734 0.76 DRD2 (0.46) DRD2DRD3RPS6KB1KDM4EDRD4
SCHEMBL3320670 0.76 TTR (0.40) HRH1HRH2HRH3HTR1ADRD2

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
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed
EP-2188268-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2010-05-26 EP disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 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-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C HRH1 24/4885HRH2 23/4885HRH3 22/4885

“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.