SCHEMBL4142012

SCHEMBL4142012

COc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
S1PR1 P21453 1/20 0.40
HTR7 P34969 3/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
HSD17B3 P37058 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
OPRD1 P41143 2/20 0.38
ADORA1 P30542 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4141684 0.91 BACE1 (0.37) PDK1PDK2PDK3PDK4S1PR1
SCHEMBL4135531 0.89 S1PR1 (0.42) S1PR1HRH3ALDH1A1LMNATSHR
SCHEMBL4132423 0.89 SIGMAR1 (0.38) HTR7HRH3HTR2CHTR2A
SCHEMBL4139976 0.88 PDK1 (0.35) PDK1PDK2PDK3PDK4S1PR1
SCHEMBL4127461 0.88 HTR2C (0.51) PTPRCHRH3CYP11B1CYP11B2HTR2C
SCHEMBL4135614 0.88 PDK1 (0.45) PDK1PDK2PDK3PDK4CYP11B2
SCHEMBL4148990 0.87 HRH3 (0.36) HRH3CYP11B1CYP11B2HTR2CHTR2A
SCHEMBL4766770 0.87 S1PR1 (0.45) S1PR1HRH3OPRD1HTR2CHTR2A
SCHEMBL4140663 0.87 HTR2C (0.42) PDK1PDK2PDK3PDK4HSD17B3
SCHEMBL4152600 0.86 PDE4B (0.40) ALDH1A1TSHR

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 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.