SCHEMBL5527296

SCHEMBL5527296

CS(=O)(=O)O.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ccccn1)C2

nearest known ligand 0.89

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.75

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
SCHEMBL5530466 0.94 PDE5A (0.84) PDE5A
SCHEMBL1887265 0.94 PDE5A (0.84) PDE5A
SCHEMBL6407149 0.86 PDE5A (1.00) PDE5A
SCHEMBL6407365 0.85 PDE5A (0.80) PDE5A
SCHEMBL6407728 0.81 PDE5A (0.83) PDE5A
SCHEMBL1891581 0.81 PDE5A (0.83) PDE5A
SCHEMBL6409809 0.80 PDE5A (0.66) PDE5A
SCHEMBL14599799 0.80 PDE5A (0.72) PDE5A
SCHEMBL5527298 0.79 PDE5A (0.56) PDE5A
SCHEMBL12194946 0.78 PDE5A (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO 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 (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 1/4885

“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.