SCHEMBL4715662

SCHEMBL4715662

CC(C)(Cc1cnc2c(-c3ccsc3)cccn12)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
FEN1 P39748 2/20 0.35
KDR P35968 5/20 0.34
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
SLC29A1 Q99808 1/20 0.32
GRM2 Q14416 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
SCHEMBL14290309 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4717668 0.82 KDM4E (0.36) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4716769 0.78 FEN1 (0.36) FEN1GRM2
SCHEMBL4717663 0.77 GGPS1 (0.37) KDM4EALDH1A1FEN1GRM2
SCHEMBL4717169 0.73 ABCC8 (0.36) KDM4EALDH1A1FEN1GRM2
SCHEMBL4718724 0.71 ATP4A (0.46) MEN1KMT2AGRM2
SCHEMBL4716835 0.70 GGPS1 (0.58) NPC1RAB9A
SCHEMBL4714556 0.70 HTT (0.36) KDM4EALDH1A1KMT2A
SCHEMBL14408925 0.68 GRM2 (0.48) FEN1KDRGRM2
SCHEMBL14408924 0.67 KDM4E (0.40) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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-20060142327-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
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-1448561-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
EP-1448560-A1 3-SUBSTITUTED OXINDOLE $g(b)3 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 NPC1 1332/4885RAB9A 1227/4885SMN1; SMN2 2965/4885
US-20050020618-A1 Beta 3 adrenergic agonists ADRB3, ADRB1, ADRB2 NPC1 1332/4885RAB9A 1227/4885SMN1; SMN2 2965/4885
US-20050020617-A1 3-substituted oxindole beta3 agonists ADRB3, ADRB2, ADRA2C NPC1 2981/4885RAB9A 2454/4885SMN1; SMN2 3697/4885
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 NPC1 1332/4885RAB9A 1227/4885SMN1; SMN2 2965/4885
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 NPC1 1045/4885RAB9A 1407/4885SMN1; SMN2 2394/4885

“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.