SCHEMBL3866945

SCHEMBL3866945

CC(C)CC(=O)Nc1ccc2oc3c(c2c1)CCCC3

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
NPC1 O15118 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2C9 P11712 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 2/20 0.52
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL3865920 0.99 MAPT (0.58) MAPTNPC1CYP1A2CYP2C19RAB9A
SCHEMBL3863467 0.99 MAPT (0.58) MAPTNPC1CYP1A2CYP2C19RAB9A
SCHEMBL3863733 0.98 MAPT (0.56) MAPTNPC1CYP1A2CYP2C19RAB9A
SCHEMBL3863032 0.88 MAPT (0.57) MAPTNPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3862354 0.86 MAPT (0.62) MAPTNPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3863470 0.86 MAPT (0.52) MAPTNPC1CYP1A2CYP2C19RAB9A
SCHEMBL3863940 0.85 MAPT (0.61) MAPTNPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3863835 0.85 MAPT (0.61) MAPTNPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3864891 0.84 MAPT (0.54) MAPTNPC1CYP1A2CYP2C19RAB9A
SCHEMBL3863737 0.84 MAPT (0.59) MAPTNPC1CYP1A2CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US claimed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US claimed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 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-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide KCNJ2, KCNJ5, KCNA5 MAPT 2740/4885NPC1 1260/4885CYP1A2 322/4885

“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.