SCHEMBL5646170

SCHEMBL5646170

CC(C)(N)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
HTR2A P28223 2/20 0.49
TDO2 P48775 10/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5647299 0.86 MPO (0.51) GPR84HTR2AHTR1AHTR2CKMT2A
SCHEMBL12293252 0.86 GPR84 (0.53) GPR84HTR2ATDO2HTR1AMEN1
SCHEMBL1241309 0.82 HTR2A (0.53) GPR84HTR2ATDO2HTR1AHTR2C
Hydrochloric Acid SCHEMBL1243732 0.81 HTR2A (0.51) GPR84HTR2ATDO2HTR1AHTR2C
SCHEMBL6606691 0.81 IMPDH2 (0.46) HTR2AMEN1KMT2A
SCHEMBL1243594 0.80 GPR84 (0.47) GPR84HTR2ATDO2HTR1AMEN1
SCHEMBL9011480 0.79 GPR84 (0.50) GPR84HTR2ATDO2
SCHEMBL30275204 0.78 TDO2 (0.51) GPR84HTR2ATDO2MEN1KMT2A
SCHEMBL27630028 0.78 GPR84 (0.45) GPR84HTR2ATDO2HTR1AMEN1
SCHEMBL9263226 0.76 GPR84 (0.63) GPR84HTR2ATDO2HTR1AHTR2C

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 9 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
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
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 GPR84 98/4885HTR2A 168/4885TDO2 371/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 GPR84 106/4885HTR2A 194/4885TDO2 559/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 GPR84 45/4885HTR2A 643/4885TDO2 1639/4885

“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.