SCHEMBL4670067

SCHEMBL4670067

NC(=O)c1ccc(-n2cc(CCCCC3CCC3)[nH]c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
PARP10 Q53GL7 5/20 0.40
PARP15 Q460N3 4/20 0.40
PARP2 Q9UGN5 3/20 0.40
SPHK1 Q9NYA1 2/20 0.38
MTOR P42345 1/20 0.36
MAOB P27338 1/20 0.36
CYP2C9 P11712 1/20 0.36
MCL1 Q07820 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PARP1 P09874 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4676113 0.98 GPR84 (0.43) GPR84PARP10PARP15PARP2SPHK1
SCHEMBL4675865 0.97 GPR84 (0.45) GPR84PARP10PARP15PARP2SPHK1
SCHEMBL4670380 0.97 PARP10 (0.40) GPR84PARP10PARP15PARP2SPHK1
SCHEMBL4670031 0.94 PARP15 (0.40) GPR84PARP10PARP15PARP2SPHK1
SCHEMBL4670456 0.93 PARP15 (0.41) GPR84PARP10PARP15PARP2SPHK1
SCHEMBL4670121 0.93 PARP10 (0.41) PARP10PARP15PARP2MTORMAOB
SCHEMBL4670058 0.91 PARP15 (0.41) GPR84PARP10PARP15PARP2MTOR
SCHEMBL4675640 0.90 PARP15 (0.42) GPR84PARP10PARP15PARP2SPHK1
SCHEMBL4670069 0.86 GPR84 (0.41) GPR84MCL1MEN1KMT2A
SCHEMBL4676115 0.83 GPR84 (0.43) GPR84SPHK1MCL1HRH3

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 50/4885PARP10 4038/4885PARP15 4417/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 GPR84 129/4885PARP10 3846/4885PARP15 4242/4885

“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.