SCHEMBL5647299

SCHEMBL5647299

CC(C)(N)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 13/20 0.51
GPR84 Q9NQS5 2/20 0.50
HTR2A P28223 4/20 0.49
HTR2C P28335 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
HTR1A P08908 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2B P41595 1/20 0.46
SLC6A4 P31645 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
SCHEMBL5646170 0.86 GPR84 (0.50) GPR84HTR2AHTR2CHTR1AKMT2A
SCHEMBL13491426 0.86 GPR84 (0.53) MPOGPR84HTR2AHTR2CTRPM8
SCHEMBL24199368 0.83 GPR84 (0.50) MPOGPR84HTR2AHTR2CTRPM8
SCHEMBL23269820 0.80 GPR84 (0.51) MPOGPR84HTR2AHTR2CTRPM8
SCHEMBL23259466 0.80 HTR2A (0.50) MPOGPR84HTR2AHTR2CTRPM8
SCHEMBL27609937 0.80 MPO (0.49) MPOGPR84HTR2AHTR2CTRPM8
SCHEMBL10394736 0.79 GPR84 (0.50) GPR84HTR2ATRPM8HTR1ASLC6A4
SCHEMBL9265116 0.79 GPR84 (0.50) GPR84HTR2ATRPM8SLC6A4
SCHEMBL11827118 0.78 TSHR (0.52) MPOGPR84HTR2AHTR2CSLC6A4
SCHEMBL11487356 0.77 AR (0.46) MPOKMT2ASLC6A4

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 13 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-4217357-A Inhibition of thromboxane synthetase with 3-(imidazol-1-ylalkyl)indoles PFIZER INC. (US) 1980-08-12 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 (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 MPO 2672/4885GPR84 98/4885HTR2A 168/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 MPO 3062/4885GPR84 106/4885HTR2A 194/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 MPO 3197/4885GPR84 45/4885HTR2A 643/4885

“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.