SCHEMBL14666752

SCHEMBL14666752

CCOc1ccc2c(c1)OC1(C=C2c2ccc(F)cc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.42
KCNH2 Q12809 12/20 0.42
MAOB P27338 1/20 0.41
CYP2D6 P10635 5/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRK1 P41145 2/20 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
SCHEMBL14666734 0.82 MAOB (0.41) MAOBCYP2D6LMNAPOLBNPSR1
SCHEMBL14666701 0.80 OPRD1 (0.40) OPRD1KCNH2CYP2D6OPRK1
SCHEMBL12082058 0.79 OPRD1 (0.38) OPRD1KCNH2MAOBCYP2D6OPRK1
SCHEMBL9577755 0.75 OPRD1 (0.59) OPRD1KCNH2CYP2D6OPRK1
SCHEMBL12081862 0.73 NR3C2 (0.48) OPRD1KCNH2OPRK1
SCHEMBL13566251 0.73 OPRD1 (0.56) OPRD1KCNH2MAOBCYP2D6ALDH1A1
SCHEMBL14666747 0.71 MAOB (0.44) MAOBCYP2D6LMNAPOLBNPSR1
SCHEMBL14666753 0.71 PPARG (0.51) OPRD1KCNH2MAOBLMNAPOLB
SCHEMBL14822727 0.71 PPARA (0.48) MAOBLMNAPOLBNPSR1ALDH1A1
SCHEMBL14666743 0.68 MAOB (0.39) MAOBCYP2D6LMNAPOLBNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed

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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R OPRD1 268/4885KCNH2 302/4885MAOB 1074/4885

“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.