SCHEMBL4716835

SCHEMBL4716835

CC(C)(Cc1cnc2ccccn12)[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.58
FDPS P14324 1/20 0.58
GPR84 Q9NQS5 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SSTR4 P31391 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PKM P14618 1/20 0.35
FLT3 P36888 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.35
HDAC1 Q13547 1/20 0.35
ERCC5 P28715 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4720762 0.81 ALDH1A1 (0.42) GGPS1FDPSPIK3CAPKMFLT3
SCHEMBL12732656 0.81 GGPS1 (0.60) GGPS1FDPSGPR84NPSR1DRD4
SCHEMBL4716274 0.80 GGPS1 (0.40) GGPS1FDPSPKMMAPTCYP1A2
SCHEMBL4716769 0.78 FEN1 (0.36) GGPS1FDPS
SCHEMBL4717663 0.77 GGPS1 (0.37) GGPS1FDPSSSTR4
SCHEMBL12806413 0.77 GGPS1 (0.56) GGPS1FDPSGPR84NPSR1DRD4
SCHEMBL4714601 0.76 ALDH1A1 (0.40) GGPS1FDPSPKMRAB9AMAPT
SCHEMBL25245613 0.76 GGPS1 (0.46) GGPS1FDPSGPR84NPSR1PTGS1
SCHEMBL4718724 0.74 ATP4A (0.46) MAPTCYP1A2CYP2C9
Minodronic Acid SCHEMBL145238 0.73 FDPS (1.00) GGPS1FDPSGPR84NPSR1DRD4

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 17 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-2003044016-A1 3-SUBSTITUTED OXINDOLE β3 AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO disclosed
WO-2003044017-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO disclosed
US-5001132-A Phenyloxypropanolamine derivatives and their application in therapeutics SYNTHELABO (FR) 1991-03-19 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 (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 GGPS1 2897/4885FDPS 4473/4885GPR84 35/4885
US-20050020618-A1 Beta 3 adrenergic agonists ADRB3, ADRB1, ADRB2 GGPS1 2897/4885FDPS 4473/4885GPR84 35/4885
US-20050020617-A1 3-substituted oxindole beta3 agonists ADRB3, ADRB2, ADRA2C GGPS1 3528/4885FDPS 4720/4885GPR84 116/4885
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 GGPS1 2897/4885FDPS 4473/4885GPR84 35/4885
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 GGPS1 2505/4885FDPS 4391/4885GPR84 40/4885

“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.