SCHEMBL4144492

SCHEMBL4144492

CC(=O)c1ccccc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 4/20 0.42
HRH3 Q9Y5N1 6/20 0.39
KCNH2 Q12809 1/20 0.36
HCRTR1 O43613 1/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
CHEK1 O14757 1/20 0.35
USP30 Q70CQ3 1/20 0.35
FAAH O00519 1/20 0.34
APOB P04114 1/20 0.34
MTTP P55157 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL4148536 0.91 FPR2 (0.39) HRH3KCNH2HCRTR1PDK1PDK2
SCHEMBL4148543 0.91 FPR2 (0.39) HRH3KCNH2HCRTR1PDK1PDK2
SCHEMBL4664245 0.87 HRH3 (0.34) HSD17B3HRH3KCNH2HCRTR1PDK1
SCHEMBL4148990 0.85 HRH3 (0.36) HRH3KCNH2HCRTR1FAAHASIC3
SCHEMBL4135556 0.84 CD274 (0.38) HRH3KCNH2ASIC3
SCHEMBL4127215 0.83 MCHR1 (0.38) HSD17B3HRH3KCNH2ASIC3
SCHEMBL4128118 0.83 PDK1 (0.42) HRH3KCNH2PDK1PDK2PDK3
SCHEMBL4127329 0.83 HTR1A (0.42) HRH3KCNH2ASIC3
SCHEMBL4131506 0.82 HSD17B3 (0.40) HSD17B3HRH3KCNH2PDK1PDK2
SCHEMBL4142012 0.82 PDK1 (0.43) HSD17B3HRH3PDK1PDK2PDK3

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 HSD17B3 398/4885HRH3 1/4885KCNH2 657/4885

“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.