SCHEMBL4140976

SCHEMBL4140976

Cc1cc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HRH3 Q9Y5N1 12/20 0.35
KCNH2 Q12809 8/20 0.35
GRIN2B Q13224 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN1 Q05586 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL4128192 0.91 HRH3 (0.39) MCHR1HRH3KCNH2ASIC3
SCHEMBL4130044 0.89 HRH3 (0.37) MCHR1HRH3KCNH2CYP1A2CYP2C9
SCHEMBL4141241 0.87 PGR (0.39) MCHR1HRH3KCNH2
SCHEMBL4141039 0.87 HRH3 (0.45) MCHR1HRH3KCNH2
SCHEMBL4128057 0.86 HRH3 (0.38) MCHR1HRH3KCNH2ASIC3
SCHEMBL4140206 0.85 HRH3 (0.40) MCHR1HRH3KCNH2CYP1A2CYP2C9
SCHEMBL4139649 0.84 HRH3 (0.37) MCHR1HRH3KCNH2CYP1A2CYP2C9
SCHEMBL4142298 0.84 HRH3 (0.39) MCHR1HRH3KCNH2CYP1A2CYP2C9
SCHEMBL4136693 0.84 MCHR1 (0.41) MCHR1HRH3KCNH2
SCHEMBL4145313 0.84 CRHBP (0.44) HRH3KCNH2CYP1A2CYP2C9

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 MCHR1 287/4885DAPK3 3842/4885NTRK1 395/4885

“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.