SCHEMBL4676115

SCHEMBL4676115

Nc1ccc(-n2cc(CCCCC3CCCC3)[nH]c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
CEL P19835 2/20 0.37
NFE2L2 Q16236 1/20 0.36
MCL1 Q07820 1/20 0.35
HPGD P15428 1/20 0.34
GRM2 Q14416 1/20 0.33
DAO P14920 2/20 0.33
CYP19A1 P11511 4/20 0.32
SPHK1 Q9NYA1 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
TBXAS1 P24557 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
SCHEMBL4675869 0.99 GPR84 (0.45) GPR84CELNFE2L2MCL1HPGD
SCHEMBL4670069 0.97 GPR84 (0.41) GPR84CELNFE2L2MCL1HPGD
SCHEMBL4670034 0.96 GPR84 (0.39) GPR84CELNFE2L2HPGDDAO
SCHEMBL4670460 0.95 GPR84 (0.41) GPR84CELNFE2L2HPGDDAO
SCHEMBL4670381 0.94 GPR84 (0.36) GPR84CELNFE2L2HPGDGRM2
SCHEMBL4670060 0.92 DAO (0.40) GPR84CELNFE2L2HPGDDAO
SCHEMBL4675644 0.91 DAO (0.41) GPR84CELNFE2L2HPGDDAO
SCHEMBL4670123 0.90 DAO (0.37) GPR84CELNFE2L2HPGDDAO
SCHEMBL4676113 0.86 GPR84 (0.43) GPR84CELMCL1SPHK1HRH4
SCHEMBL4675865 0.85 GPR84 (0.45) GPR84CELMCL1SPHK1HRH4

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 GPR84 50/4885CEL 2437/4885NFE2L2 2675/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 GPR84 129/4885CEL 1874/4885NFE2L2 3069/4885

“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.