SCHEMBL5643971

SCHEMBL5643971

CC(C)(Cc1c[nH]c2cc(F)ccc12)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.55
▸ HTR2A P28223 2/20 0.50
▸ HTR1A P08908 1/20 0.48
▸ TDO2 P48775 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PKLR P30613 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ TSHR P16473 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
SCHEMBL12633102 0.81 GPR84 (0.67) GPR84HTR2AHTR1AHTR2CNR3C1
SCHEMBL10946479 0.80 PKM (0.51) GPR84HTR2AHTR1APKMPKLR
SCHEMBL3014264 0.79 GPR84 (0.44) GPR84HTR2AHTR1ATDO2PKM
SCHEMBL4640447 0.79 GPR84 (0.59) GPR84HTR2AHTR1ATDO2HTR2C
SCHEMBL9263226 0.79 GPR84 (0.63) GPR84HTR2AHTR1ATDO2HTR2C
SCHEMBL14663588 0.76 GPR84 (0.69) GPR84HTR2AHTR1ATDO2HTR2C
SCHEMBL14500078 0.76 HTR2A (0.61) GPR84HTR2AHTR1ATDO2PKM
SCHEMBL6846117 0.76 GPR84 (0.73) GPR84HTR2AHTR1ATDO2HTR2C
SCHEMBL9257193 0.76 GPR84 (0.55) GPR84HTR2AHTR1AHTR2CHTR6
SCHEMBL10940809 0.76 GPR84 (0.55) GPR84HTR2AHTR1AHTR2CHTR6

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 14 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
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — 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
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — 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 GPR84 98/4885HTR2A 168/4885HTR1A 347/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 GPR84 106/4885HTR2A 194/4885HTR1A 353/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 GPR84 45/4885HTR2A 643/4885HTR1A 1067/4885

“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.

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