SCHEMBL4675865

SCHEMBL4675865

NC(=O)c1ccc(-n2cc(CCCCC3CCCCC3)[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
SPHK1 Q9NYA1 2/20 0.41
PARP15 Q460N3 3/20 0.41
PARP10 Q53GL7 3/20 0.41
MTOR P42345 1/20 0.40
MCL1 Q07820 1/20 0.39
PARP2 Q9UGN5 1/20 0.36
CEL P19835 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 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
SCHEMBL4676113 0.99 GPR84 (0.43) GPR84SPHK1PARP15PARP10MTOR
SCHEMBL4670456 0.97 PARP15 (0.41) GPR84SPHK1PARP15PARP10MTOR
SCHEMBL4670067 0.97 GPR84 (0.40) GPR84SPHK1PARP15PARP10MTOR
SCHEMBL4670031 0.95 PARP15 (0.40) GPR84SPHK1PARP15PARP10MTOR
SCHEMBL4670380 0.93 PARP10 (0.40) GPR84SPHK1PARP15PARP10MTOR
SCHEMBL4675640 0.93 PARP15 (0.42) GPR84SPHK1PARP15PARP10MTOR
SCHEMBL4670058 0.92 PARP15 (0.41) GPR84PARP15PARP10MTORPARP2
SCHEMBL4670121 0.90 PARP10 (0.41) PARP15PARP10MTORPARP2MAOB
SCHEMBL4675869 0.86 GPR84 (0.45) GPR84SPHK1MCL1CELHRH4
SCHEMBL4676115 0.85 GPR84 (0.43) GPR84SPHK1MCL1CELHRH4

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 5 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
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US 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 50/4885SPHK1 848/4885PARP15 4417/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 GPR84 129/4885SPHK1 939/4885PARP15 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.