SCHEMBL3148998

SCHEMBL3148998

O=CNCCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CACNA1G O43497 1/20 0.37
GRIA1 P42261 1/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
DRD3 P35462 3/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.37
TP53 P04637 1/20 0.37
ALOX5 P09917 1/20 0.36

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
Hydrochloric Acid SCHEMBL3153055 0.99 HRH1 (0.38) HRH1HRH2HRH3CACNA1GGRIA1
SCHEMBL2334157 0.86 MEN1 (0.35) HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL3144491 0.85 KDM4E (0.37) HTR1ADRD2HTR2ADRD3HTR2C
Hydrochloric Acid SCHEMBL3156540 0.84 HTR1A (0.49) HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL3149372 0.84 PIK3CD (0.48) CACNA1GHTR1ADRD2HTR2ADRD4
Hydrochloric Acid SCHEMBL3152996 0.84 HRH3 (0.43) HRH3DRD2DRD3DRD4
SCHEMBL2336011 0.84 CARM1 (0.43) HRH1HRH2HRH3CACNA1GGRIA1
SCHEMBL2335598 0.83 MAP4K1 (0.37) HTR1ADRD2HTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL3153060 0.83 CARM1 (0.43) HRH1HRH2HRH3CACNA1GGRIA1
Hydrochloric Acid SCHEMBL3149246 0.82 MAP4K1 (0.36) HTR1ADRD2HTR2ADRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 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-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.