SCHEMBL5485080

SCHEMBL5485080

CC(C)(N)Cc1c[nH]c2c(OCc3ccccc3)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.67
PLA2G2A P14555 1/20 0.67
TRPM8 Q7Z2W7 1/20 0.67
ADRB3 P13945 4/20 0.48
HTR2A P28223 4/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 1/20 0.41
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTR6 P50406 1/20 0.40
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL5859925 0.90 LTA4H (0.65) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL5859930 0.90 LTA4H (0.65) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL5646073 0.82 LTA4H (0.58) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL5484893 0.82 LTA4H (0.57) LTA4HPLA2G2ATRPM8ADRB3MAPT
SCHEMBL5481516 0.81 LTA4H (0.69) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL5648360 0.81 LTA4H (0.69) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL30579433 0.81 LTA4H (1.00) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL5167328 0.81 LTA4H (1.00) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL27612134 0.80 LTA4H (0.71) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL14527116 0.80 HTR2A (0.44) LTA4HPLA2G2ATRPM8ADRB3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 US disclosed
EP-1421078-B1 INDOLE DERIVATIVES AS BETA-3 ADRENERGIC AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES LILLY CO ELI (US) 2006-09-27 EP disclosed
US-7087635-B2 3-substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
EP-1444224-B1 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS LILLY CO ELI (US) 2006-05-03 EP disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
CN-1675180-A Indole, indazole, and benzazole derivative SUMITOMO PHARMA (JP) 2005-09-28 CN disclosed
US-20050159473-A1 3-Substituted oxindole beta3 agonists SALL DANIEL J (US) 2005-07-21 US disclosed
US-6911463-B2 3-substituted oxindole β-3 agonists ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP disclosed
US-20040242668-A1 3-substituted oxindole beta-3 agonists SALL DANIEL JON (US) 2004-12-02 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 (4 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-20040242668-A1 3-substituted oxindole beta-3 agonists ADRB3, ADRB2, ADRB1 LTA4H 1369/4885PLA2G2A 2121/4885TRPM8 1464/4885
US-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 LTA4H 3017/4885PLA2G2A 3711/4885TRPM8 1529/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 LTA4H 1364/4885PLA2G2A 2376/4885TRPM8 1455/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 LTA4H 755/4885PLA2G2A 1815/4885TRPM8 1769/4885

“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.