SCHEMBL4136716

SCHEMBL4136716

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2Cc4ccccc4C2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GRIN2B Q13224 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP8 P22894 4/20 0.36
MMP3 P08254 2/20 0.36
DGAT1 O75907 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
PNMT P11086 1/20 0.36
KIF11 P52732 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PSIP1 O75475 1/20 0.35

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
SCHEMBL4141749 0.86 MLNR (0.37) OPRM1OPRK1OPRL1GRIN2BKDM4E
SCHEMBL4130700 0.85 ALDH1A1 (0.39) OPRM1OPRK1OPRL1GRIN2BKDM4E
SCHEMBL4139662 0.83 PNMT (0.35) OPRM1OPRK1OPRL1GRIN2BKDM4E
SCHEMBL4141084 0.83 JAK2 (0.42) OPRM1OPRK1OPRL1KDM4EALDH1A1
SCHEMBL4136797 0.81 TP53 (0.40) OPRM1OPRK1OPRL1KDM4EALDH1A1
SCHEMBL4128738 0.80 USP30 (0.36) KDM4EALDH1A1NPSR1DRD2DRD3
SCHEMBL4128188 0.78 KCNH2 (0.39) DRD2DRD3
SCHEMBL4133239 0.76 MCHR1 (0.41) HDAC4
SCHEMBL4141846 0.75 DRD2 (0.35) DRD2DRD3PNMT
SCHEMBL4130503 0.75 KCNH2 (0.35) DRD2DRD3PNMT

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 HDAC4 1125/4885OPRM1 324/4885OPRK1 188/4885

“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.