SCHEMBL4670468

SCHEMBL4670468

NC(=O)c1ccc(-n2nnn(CCC3CCCC3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.42
PARP10 Q53GL7 3/20 0.42
PARP2 Q9UGN5 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP2C9 P11712 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR6 P50406 1/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL4677832 0.99 PARP15 (0.43) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL4670421 0.98 PARP10 (0.42) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL4670081 0.94 ADRB2 (0.42) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL4670624 0.93 PARP15 (0.40) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL4670057 0.93 PARP15 (0.42) PARP15PARP10PARP2ADRB2ADRB1
Water SCHEMBL4672106 0.93 ADRB2 (0.41) PARP15PARP10PARP2ADRB2ADRB1
Water SCHEMBL4673066 0.93 ADRB2 (0.41) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL4670091 0.92 PARP15 (0.41) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL6301319 0.92 PARP10 (0.41) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL4670046 0.91 PARP10 (0.40) PARP15PARP10PARP2ADRB2ADRB1

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 6 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-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 (1 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-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 PARP15 4242/4885PARP10 3846/4885PARP2 4599/4885

“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.