SCHEMBL5646191

SCHEMBL5646191

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.49
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 1/20 0.38
TACR1 P25103 3/20 0.37
S1PR1 P21453 1/20 0.37
P4HB P07237 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HTR2A P28223 1/20 0.36
ACE P12821 1/20 0.35
NQO2 P16083 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL5647087 0.90 MTNR1A (0.40) MPOHTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL5645163 0.84 IKBKB (0.39) HTTSMN1; SMN2MTNR1AMTNR1BTACR1
SCHEMBL5646935 0.84 CTSS (0.43) MTNR1AMTNR1BTACR1CTSLCTSS
SCHEMBL5649466 0.83 TACR1 (0.42) HTTSMN1; SMN2MTNR1AMTNR1BTACR1
SCHEMBL14527135 0.81 MPO (0.59) MPOHTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL5645523 0.80 TACR1 (0.36) HTTSMN1; SMN2MTNR1AMTNR1BTACR1
SCHEMBL5644931 0.80 TACR1 (0.37) HTTMTNR1AMTNR1BTACR1P4HB
SCHEMBL5644929 0.80 TACR1 (0.37) HTTMTNR1AMTNR1BTACR1P4HB
SCHEMBL5646889 0.79 HTR2A (0.43) MTNR1AMTNR1BTACR1CTSLCTSS
SCHEMBL5644699 0.79 GAA (0.35) HTTMTNR1AMTNR1BTACR1P4HB

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-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

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 2672/4885HTT 3896/4885SMN1; SMN2 3606/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 MPO 3062/4885HTT 4035/4885SMN1; SMN2 3740/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 MPO 3197/4885HTT 4419/4885SMN1; SMN2 3323/4885

“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.