SCHEMBL4670060

SCHEMBL4670060

Nc1ccc(-n2cc(CCC3CCCC3)[nH]c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.40
NFE2L2 Q16236 1/20 0.38
HPGD P15428 2/20 0.35
GPR84 Q9NQS5 1/20 0.34
CYP19A1 P11511 4/20 0.33
CEL P19835 2/20 0.33
TBXAS1 P24557 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL4675644 0.99 DAO (0.41) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4670123 0.97 DAO (0.37) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4670034 0.94 GPR84 (0.39) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4676115 0.92 GPR84 (0.43) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4670460 0.92 GPR84 (0.41) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4675869 0.91 GPR84 (0.45) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4670381 0.91 GPR84 (0.36) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4670069 0.90 GPR84 (0.41) DAONFE2L2HPGDGPR84CYP19A1
SCHEMBL4670058 0.85 PARP15 (0.41) DAOGPR84
SCHEMBL4675640 0.84 PARP15 (0.42) DAOHPGDGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE 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 (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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 DAO 3008/4885NFE2L2 2675/4885HPGD 4164/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 DAO 2646/4885NFE2L2 3069/4885HPGD 3414/4885

“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.