SCHEMBL4128057

SCHEMBL4128057

CC1CCCN1C1CCc2cc(-c3cc(F)cc(F)c3)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.38
KCNH2 Q12809 7/20 0.38
MCHR1 Q99705 4/20 0.38
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL4141039 0.91 HRH3 (0.45) HRH3KCNH2MCHR1HTR1DHTR1B
SCHEMBL4132406 0.91 MCHR1 (0.37) HRH3KCNH2MCHR1HTR1DHTR1B
SCHEMBL4128192 0.88 HRH3 (0.39) HRH3KCNH2MCHR1ASIC3
SCHEMBL4139649 0.86 HRH3 (0.37) HRH3KCNH2MCHR1ASIC3
SCHEMBL4140976 0.86 MCHR1 (0.36) HRH3KCNH2MCHR1ASIC3
SCHEMBL4133152 0.85 ASIC3 (0.40) HRH3KCNH2MCHR1ASIC3OPRM1
SCHEMBL4142343 0.85 HRH3 (0.40) HRH3KCNH2ASIC3
SCHEMBL4140206 0.85 HRH3 (0.40) HRH3KCNH2MCHR1ASIC3
SCHEMBL4140086 0.85 KCNH2 (0.37) HRH3KCNH2MCHR1ASIC3
SCHEMBL4141241 0.85 PGR (0.39) HRH3KCNH2MCHR1

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 657/4885MCHR1 287/4885

“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.