SCHEMBL4670126

SCHEMBL4670126

NC(=O)c1ccc(-n2ccn(CCCC3CCCC3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PARP15 Q460N3 4/20 0.41
PARP10 Q53GL7 4/20 0.41
PARP2 Q9UGN5 2/20 0.39
CYP2C9 P11712 1/20 0.37
SPHK1 Q9NYA1 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34

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
SCHEMBL4670413 0.99 PARP15 (0.42) ADRB2ADRB1ADRB3PARP15PARP10
SCHEMBL4670127 0.85 ADRB2 (0.42) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL4670414 0.84 ADRB2 (0.41) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL4672099 0.79 ADRB2 (0.41) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL4670348 0.78 ADRB2 (0.41) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL4670081 0.76 ADRB2 (0.42) ADRB2ADRB1ADRB3PARP15PARP10
SCHEMBL27453100 0.76 ADRB2 (0.38) ADRB2ADRB1ADRB3DRD2DRD3
Water SCHEMBL4672106 0.75 ADRB2 (0.41) ADRB2ADRB1ADRB3PARP15PARP10
Water SCHEMBL4673066 0.75 ADRB2 (0.41) ADRB2ADRB1ADRB3PARP15PARP10
SCHEMBL4670057 0.75 PARP15 (0.42) ADRB2ADRB1ADRB3PARP15PARP10

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 ADRB2 2/4885ADRB1 3/4885ADRB3 1/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 ADRB2 2/4885ADRB1 3/4885ADRB3 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.