SCHEMBL6861258

SCHEMBL6861258

O=C(O)c1ccc2c(c1)CCC(CNCC(O)c1cccnc1)O2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.52
ADRB1 P08588 6/20 0.43
ADRB2 P07550 4/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
TBXAS1 P24557 1/20 0.39
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL27555656 1.00 ADRB3 (0.52) ADRB3ADRB1ADRB2HTR1AHTR1D
SCHEMBL6600472 0.93 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL6280119 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6406655 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6447612 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6286558 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6280116 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6286567 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6406650 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6283260 0.90 ADRB3 (0.51) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797714-B2 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION BAYER PHARMACEUTICALS CORPORATION 2004-09-28 US disclosed
US-20030013705-A1 Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-01-16 US disclosed
US-6469031-B1 USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS HYPER-TRIGLYCERIDAEMIA, HYPERCHOLESTEROLAEMIA AND IN LOWERING HIGH DENSITY LIPOPROTEIN LEVELS AS WELL AS IN THE TREATMENT OF ATHEROSCLEROTIC, CARDIOVASCULAR AND DIABETIC CONDITIONS BAYER CORPORATION 2002-10-22 US disclosed
EP-1040106-B1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER AG (US) 2002-08-28 EP disclosed
EP-1040106-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-10-04 EP disclosed
WO-1999032476-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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-20030013705-A1 Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885

“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.