SCHEMBL5528591

SCHEMBL5528591

CC(C)(C)OC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)CCO2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.60
ABCG2 Q9UNQ0 6/20 0.53
ABCB1 P08183 5/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KIF11 P52732 1/20 0.51

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
SCHEMBL12194947 0.90 PDE5A (0.65) PDE5AABCG2ABCB1MEN1MAPT
SCHEMBL5531970 0.88 PDE5A (0.63) PDE5A
SCHEMBL6408875 0.88 PDE5A (0.63) PDE5A
SCHEMBL5528565 0.85 PDE5A (0.61) PDE5AABCG2ABCB1MEN1MAPT
SCHEMBL15511617 0.83 ABCG2 (0.67) ABCG2ABCB1KIF11
SCHEMBL14599798 0.80 PDE5A (0.62) PDE5AMEN1MAPTKMT2AL3MBTL1
SCHEMBL1327874 0.80 PDE5A (0.60) PDE5AABCG2ABCB1MEN1MAPT
SCHEMBL4927250 0.80 PDE5A (0.60) PDE5AABCG2ABCB1MEN1MAPT
SCHEMBL1327533 0.80 PDE5A (0.60) PDE5AABCG2ABCB1MEN1MAPT
SCHEMBL1326380 0.80 PDE5A (0.60) PDE5AABCG2ABCB1MEN1MAPT

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-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 US disclosed
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 US disclosed
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 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-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives PDE5A, PDE3A, PDE3B PDE5A 1/4885ABCG2 601/4885ABCB1 1101/4885

“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.