SCHEMBL4135614

SCHEMBL4135614

COc1ccc(OC)c(-c2ccc3c(c2)CCC(N2CCCC2C)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
TDP2 O95551 1/20 0.43
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ABCB1 P08183 1/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DHFR P00374 1/20 0.36
SYK P43405 2/20 0.36
CYP11B2 P19099 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4139976 0.90 PDK1 (0.35) PDK1PDK2PDK3PDK4SYK
SCHEMBL4135531 0.89 S1PR1 (0.42) LMNAALDH1A1TSHRNPSR1
SCHEMBL4140663 0.89 HTR2C (0.42) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL4142012 0.88 PDK1 (0.43) PDK1PDK2PDK3PDK4OPRD1
SCHEMBL4135590 0.87 OTUD7B (0.41) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL4143136 0.87 OPRM1 (0.40) OPRM1OPRD1HTR2CHTR2BCYP11B2
SCHEMBL4143141 0.87 OPRM1 (0.40) OPRM1OPRD1HTR2CHTR2BCYP11B2
SCHEMBL4128725 0.87 OPRM1 (0.40) OPRM1OPRD1HTR2CHTR2BCYP11B2
SCHEMBL4128730 0.87 OPRM1 (0.40) OPRM1OPRD1HTR2CHTR2BCYP11B2
SCHEMBL4128728 0.87 OPRM1 (0.40) OPRM1OPRD1HTR2CHTR2BCYP11B2

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.