SCHEMBL5645892

SCHEMBL5645892

CC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.55
LTA4H P09960 1/20 0.52
PLA2G2A P14555 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
KLK7 P49862 1/20 0.49
TACR1 P25103 2/20 0.49
ADRB2 P07550 4/20 0.49
ACE P12821 1/20 0.49
CTSL P07711 2/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ADRB1 P08588 4/20 0.48
SSTR3 P32745 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
KLK5 Q9Y337 1/20 0.46
CCKBR P32239 2/20 0.44
POLB P06746 1/20 0.44
P4HB P07237 1/20 0.44
SCN9A Q15858 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
SCHEMBL7570378 1.00 ADRB3 (0.55) ADRB3LTA4HPLA2G2ATRPM8KLK7
SCHEMBL5857888 0.89 LTA4H (0.50) ADRB3LTA4HPLA2G2ATRPM8KLK7
SCHEMBL5857884 0.89 LTA4H (0.50) ADRB3LTA4HPLA2G2ATRPM8KLK7
SCHEMBL5484853 0.88 ADRB3 (0.57) ADRB3TACR1ADRB2ACECTSL
SCHEMBL5484852 0.88 ADRB3 (0.57) ADRB3TACR1ADRB2ACECTSL
SCHEMBL5482928 0.88 ADRB3 (0.60) ADRB3LTA4HPLA2G2ATRPM8ADRB2
SCHEMBL5648226 0.84 CTSS (0.53) ADRB3TACR1ADRB2ACECTSL
SCHEMBL5648573 0.84 CTSS (0.53) ADRB3TACR1ADRB2ACECTSL
SCHEMBL5652291 0.84 CTSS (0.53) ADRB3TACR1ADRB2ACECTSL
SCHEMBL5645436 0.84 MAPT (0.51) ADRB3TACR1ACECTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040242668-A1 3-substituted oxindole beta-3 agonists SALL DANIEL JON (US) 2004-12-02 US disclosed
EP-1444224-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-11 EP disclosed
EP-1421078-A1 BETA-3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-05-26 EP disclosed
WO-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO disclosed
WO-2003016276-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO disclosed
US-6458824-B1 (3-((2R)-(((2R)-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-1H-INDOL-7-YLOXY)ACETIC ACID CRYSTAL SOLIDS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-10-01 US disclosed
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 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 (3 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 ADRB3 1/4885LTA4H 1369/4885PLA2G2A 2121/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885LTA4H 1364/4885PLA2G2A 2376/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885LTA4H 755/4885PLA2G2A 1815/4885

“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.