Sugi Predict

Sugi Predict / Compounds / SCHEMBL5531970

SCHEMBL5531970

SCHEMBL5531970

CC(C)(C)OC(=O)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)CCO2

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.63

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
SCHEMBL12194946 0.91 PDE5A (0.65) PDE5A
SCHEMBL5528591 0.88 PDE5A (0.60) PDE5A
SCHEMBL6636424 0.87 PDE5A (0.73) PDE5A
SCHEMBL12194910 0.85 PDE5A (0.78) PDE5A
SCHEMBL6409672 0.83 PDE5A (0.79) PDE5A
SCHEMBL14599799 0.82 PDE5A (0.72) PDE5A
SCHEMBL12194947 0.78 PDE5A (0.65) PDE5A
SCHEMBL6409755 0.78 PDE5A (0.70) PDE5A
SCHEMBL6407697 0.77 PDE5A (0.67) PDE5A
SCHEMBL5530176 0.77 PDE5A (0.67) PDE5A

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-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 — — US disclosed
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 — — US disclosed
WO-2010060228-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2010-06-03 — — WO disclosed
EP-1851227-A1 AN EFFICIENT AND STEREOSELECTIVE PROCESS FOR LARGE SCALE SYNTHESIS OF 3-(R)-3- (2,3-DIHYDROBENZOFURAN-5-YL)-1,2,3,4- TETRAHYDROPYRROLO{3,4-B}QUINOLIN-9-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-07 — — EP 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
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
WO-2006093719-A1 AN EFFICIENT AND STEREOSELECTIVE PROCESS FOR LARGE SCALE SYNTHESIS OF 3-(R)-3- (2,3-DIHYDROBENZOFURAN-5-YL)-1,2,3,4- TETRAHYDROPYRROLO{3,4-B}QUINOLIN-9-ONE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-08 — — WO 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 (2 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-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES PDE1B, PDE3B, PDE1A PDE5A 22/4885
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 1/4885

“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.