SCHEMBL4133508

SCHEMBL4133508

CC1CCCN1C1CCc2cc(-c3cccc(C#N)c3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
KCNH2 Q12809 2/20 0.47
USP30 Q70CQ3 3/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
HSD17B3 P37058 1/20 0.39
MCHR1 Q99705 6/20 0.39
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4135763 0.90 HRH3 (0.59) HRH3KCNH2USP30
SCHEMBL4129121 0.85 HRH3 (0.39) HRH3KCNH2USP30CYP1A2CYP11B1
SCHEMBL4142343 0.85 HRH3 (0.40) HRH3KCNH2USP30CYP1A2CYP11B1
SCHEMBL4141100 0.84 HRH3 (0.38) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4135773 0.83 CYP11B1 (0.37) HRH3KCNH2PDK1PDK2PDK3
SCHEMBL4132406 0.83 MCHR1 (0.37) HRH3KCNH2MCHR1CYP1A2CYP11B1
SCHEMBL4133559 0.83 HRH3 (0.47) HRH3USP30PDK1PDK2PDK3
SCHEMBL4136097 0.81 TMEM97 (0.46) HRH3MCHR1CYP11B1CYP11B2DRD3
SCHEMBL4135535 0.81 ASIC3 (0.35) HRH3KCNH2MCHR1CYP1A2CYP11B1
SCHEMBL4130668 0.80 ASIC3 (0.46) HRH3KCNH2MCHR1CYP11B1CYP11B2

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 657/4885USP30 3191/4885

“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.