SCHEMBL4714601

SCHEMBL4714601

COc1ccc2ncc(CC(C)(C)[N+](=O)[O-])n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MET P08581 1/20 0.36
POLB P06746 1/20 0.34
GGPS1 O95749 1/20 0.34
FDPS P14324 1/20 0.34
RIPK2 O43353 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
MAPT P10636 1/20 0.33
CLK1 P49759 3/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL14290282 0.83 PRMT5 (0.41) PRMT5WDR77METPOLBGGPS1
SCHEMBL4716835 0.76 GGPS1 (0.58) CYP1A2CYP2C9GGPS1FDPSMAPT
SCHEMBL23108642 0.75 MET (0.42) ALDH1A1L3MBTL1PRMT5WDR77MET
SCHEMBL4720762 0.72 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9PRMT5WDR77
SCHEMBL23132918 0.72 CLK1 (0.40) ALDH1A1PRMT5WDR77METPOLB
SCHEMBL2264081 0.71 PRMT5 (0.40) PRMT5WDR77METPOLBCLK1
SCHEMBL4716274 0.71 GGPS1 (0.40) ALDH1A1L3MBTL1CYP1A2CYP2C9GGPS1
SCHEMBL4714265 0.69 GGPS1 (0.37) ALDH1A1POLBGGPS1FDPSKMT2A
SCHEMBL12802351 0.69 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTKMT2ANPC1
SCHEMBL4716769 0.67 FEN1 (0.36) GGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448561-B1 BETA 3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-7071208-B2 β3 Adrenergic agonists ELI LILLY AND COMPANY (US) 2006-07-04 US disclosed
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
US-20060142329-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
EP-1448560-B1 3-SUBSTITUTED OXINDOLE beta 3 AGONISTS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20050020618-A1 Beta 3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2005-01-27 US disclosed
US-20050020617-A1 3-substituted oxindole beta3 agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2005-01-27 US disclosed
EP-1448560-A1 3-SUBSTITUTED OXINDOLE $g(b)3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
EP-1448561-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
WO-2003044017-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO disclosed
WO-2003044016-A1 3-SUBSTITUTED OXINDOLE β3 AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 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 (5 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-20060142329-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 354/4885L3MBTL1 3685/4885CYP1A2 492/4885
US-20050020618-A1 Beta 3 adrenergic agonists ADRB3, ADRB1, ADRB2 ALDH1A1 354/4885L3MBTL1 3685/4885CYP1A2 492/4885
US-20050020617-A1 3-substituted oxindole beta3 agonists ADRB3, ADRB2, ADRA2C ALDH1A1 1246/4885L3MBTL1 4374/4885CYP1A2 607/4885
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 354/4885L3MBTL1 3685/4885CYP1A2 492/4885
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 226/4885L3MBTL1 3592/4885CYP1A2 318/4885

“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.