SCHEMBL4139549

SCHEMBL4139549

COc1cccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)c1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HSD17B3 P37058 1/20 0.34
CD274 Q9NZQ7 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34
GAA P10253 1/20 0.34
OPRD1 P41143 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FKBP1A P62942 1/20 0.33
RAB9A P51151 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL4664245 0.85 HRH3 (0.34) PDK1PDK2PDK3PDK4HSD17B3
SCHEMBL4142012 0.84 PDK1 (0.43) PDK1PDK2PDK3PDK4HSD17B3
SCHEMBL4141684 0.82 BACE1 (0.37) PDK1PDK2PDK3PDK4CD274
SCHEMBL4132423 0.80 SIGMAR1 (0.38) HRH3
SCHEMBL4135590 0.77 OTUD7B (0.41) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4135531 0.77 S1PR1 (0.42) ALDH1A1HRH3LMNASMN1; SMN2
SCHEMBL4152600 0.76 PDE4B (0.40) ALDH1A1GAA
SCHEMBL4135614 0.76 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4139976 0.76 PDK1 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4136740 0.76 ADORA1 (0.39) ALDH1A1ABCB1LMNA

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 3 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
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 PDK1 3820/4885PDK2 2935/4885PDK3 2366/4885

“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.