SCHEMBL4148536

SCHEMBL4148536

CC1CCCN1C1CCc2cc(-c3ccccc3C(N)=O)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.39
CYP11B2 P19099 1/20 0.39
FPR1 P21462 6/20 0.39
MAP4K1 Q92918 1/20 0.37
BCAT2 O15382 1/20 0.36
GFER P55789 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.35
HCRTR1 O43613 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL4148543 1.00 FPR2 (0.39) FPR2CYP11B2FPR1MAP4K1BCAT2
SCHEMBL4144492 0.91 HSD17B3 (0.42) HRH3KCNH2HCRTR1PDK1PDK2
SCHEMBL4664245 0.86 HRH3 (0.34) HRH3KCNH2HCRTR1PDK1PDK2
SCHEMBL4148990 0.84 HRH3 (0.36) CYP11B2HRH3KCNH2HCRTR1
SCHEMBL4143078 0.83 PDE4A (0.41) CYP11B2HRH3KCNH2
SCHEMBL4135556 0.83 CD274 (0.38) HRH3KCNH2
SCHEMBL3323263 0.82 TDP2 (0.41) CYP11B2HRH3
SCHEMBL3324704 0.82 TDP2 (0.41) CYP11B2HRH3
SCHEMBL3324698 0.82 TDP2 (0.41) CYP11B2HRH3
SCHEMBL4127215 0.82 MCHR1 (0.38) HRH3KCNH2

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 2 patents. 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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 FPR2 1338/4885CYP11B2 745/4885FPR1 1408/4885

“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.