SCHEMBL4135590

SCHEMBL4135590

COc1ccc(C(C)C)cc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.41
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
PDE4B Q07343 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GLP1R P43220 1/20 0.32
USP7 Q93009 2/20 0.32
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL4135614 0.87 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4139976 0.87 PDK1 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4135531 0.86 S1PR1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL4140663 0.86 HTR2C (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4142012 0.86 PDK1 (0.43) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4128761 0.84 HRH3 (0.38) MAPT
SCHEMBL4147732 0.83 ALDH1A1 (0.38) PDK1PDK2PDK3PDK4PDE4B
SCHEMBL4152600 0.83 PDE4B (0.40) PDE4BALDH1A1GAAPDE4APDE4C
SCHEMBL4136740 0.83 ADORA1 (0.39) ALDH1A1
SCHEMBL4145313 0.81 CRHBP (0.44) ALDH1A1GAAMAPTCRHBPCRHR2

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 OTUD7B 1717/4885PDK1 3820/4885PDK2 2935/4885

“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.