SCHEMBL4152815

SCHEMBL4152815

CC(C)Oc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.36
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADCY8 P40145 1/20 0.34
ADCY1 Q08828 1/20 0.34
ABCB1 P08183 2/20 0.33
NPY5R Q15761 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4143136 0.87 OPRM1 (0.40) HRH3KCNH2ALDH1A1CYP11B2
SCHEMBL4128728 0.87 OPRM1 (0.40) HRH3KCNH2ALDH1A1CYP11B2
SCHEMBL4128725 0.87 OPRM1 (0.40) HRH3KCNH2ALDH1A1CYP11B2
SCHEMBL4128730 0.87 OPRM1 (0.40) HRH3KCNH2ALDH1A1CYP11B2
SCHEMBL4143141 0.87 OPRM1 (0.40) HRH3KCNH2ALDH1A1CYP11B2
SCHEMBL4128761 0.85 HRH3 (0.38) HRH3KCNH2
SCHEMBL4152745 0.84 HRH3 (0.46) HRH3KCNH2ALDH1A1BACE1HPGD
SCHEMBL4136724 0.84 HTR2A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4141975 0.84 OPRM1 (0.38) HRH3KCNH2ALDH1A1CYP11B2
SCHEMBL4141993 0.84 HTR1D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 166/4885GRIN3B 44/4885GRIN1 172/4885

“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.