SCHEMBL5830902

SCHEMBL5830902

CC(C)(N)CNC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.55
PARP10 Q53GL7 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
EPHX2 P34913 1/20 0.52
SCN9A Q15858 3/20 0.52
PPARA Q07869 1/20 0.51
ADAM17 P78536 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
IL18 Q14116 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL26564978 0.81 PARP15 (0.54) PARP15PARP10PARP2EPHX2SCN9A
SCHEMBL22099907 0.80 EPHX2 (0.62) EPHX2PPARAMEN1KMT2ARAB9A
SCHEMBL13579006 0.76 EPHX2 (0.54) EPHX2PPARAMEN1KMT2ARAB9A
SCHEMBL19160035 0.75 EPHX2 (0.53) EPHX2PPARAADAM17MEN1KMT2A
SCHEMBL3815685 0.74 NPC1 (0.55) KMT2AMAPTRAB9AKDM4ELMNA
SCHEMBL22192205 0.73 RAB9A (0.73) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL19324248 0.73 MEN1 (0.53) EPHX2PPARAADAM17MEN1KMT2A
SCHEMBL3808065 0.72 CYP1A2 (0.57) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL9873872 0.72 LMNA (0.48) KMT2ARAB9ALMNAALDH1A1SIGMAR1
SCHEMBL8229744 0.72 PARP15 (0.65) PARP15PARP10PARP2MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 PARP15 2301/4885PARP10 3439/4885PARP2 3174/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 PARP15 2163/4885PARP10 2906/4885PARP2 3426/4885

“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.