SCHEMBL5648583

SCHEMBL5648583

CC(C)(N)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
LTA4H P09960 4/20 0.59
PLA2G2A P14555 4/20 0.59
HTR1D P28221 5/20 0.57
SLC6A4 P31645 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
HTR1A P08908 2/20 0.51
HTR1B P28222 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
IMPDH2 P12268 1/20 0.49

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
SCHEMBL12293240 0.90 TRPM8 (0.60) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL27725148 0.85 TRPM8 (0.53) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL9772869 0.82 TRPM8 (0.68) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL2004881 0.80 TRPM8 (0.64) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL5808051 0.79 TRPM8 (0.59) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL14174678 0.78 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL20115806 0.78 ESR1 (0.59) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL12614535 0.77 TRPM8 (0.61) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL2007192 0.77 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL27664101 0.77 IMPDH2 (0.58) TRPM8KDM4EMAPTLTA4HPLA2G2A

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
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 TRPM8 1464/4885KDM4E 3972/4885MAPT 3614/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 TRPM8 1455/4885KDM4E 3960/4885MAPT 3541/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 TRPM8 1769/4885KDM4E 3778/4885MAPT 3101/4885

“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.