SCHEMBL5831376

SCHEMBL5831376

CC(C)(N)Cc1ccc(OCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
ALOX15 P16050 2/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
ALDH1A1 P00352 4/20 0.49
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TSHR P16473 2/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PTPN7 P35236 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN12 Q05209 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL6540947 0.90 ALDH1A1 (0.68) SMN1; SMN2ALOX15EPHX2NR1H4ALDH1A1
SCHEMBL14498733 0.86 SMN1; SMN2 (0.64) SMN1; SMN2ALOX15EPHX2NR1H4ALDH1A1
SCHEMBL8573749 0.81 GAA (0.56) SMN1; SMN2ALOX15ALDH1A1TSHRMAPT
Acetic Acid SCHEMBL28687879 0.78 SLC6A2 (0.50) SMN1; SMN2EPHX2NR1H4ALDH1A1SLC6A2
SCHEMBL339492 0.78 ALOX15 (0.81) SMN1; SMN2ALOX15ALDH1A1TSHRNR4A1
SCHEMBL9707016 0.77 SLC6A2 (0.50) ALOX15ALDH1A1SLC6A2TAAR1APEX1
SCHEMBL565091 0.77 TDP1 (0.57) SMN1; SMN2SLC6A2TAAR1TSHRHTR2A
SCHEMBL2336059 0.77 ALOX15 (0.61) SMN1; SMN2ALOX15ALDH1A1TSHRNR4A1
SCHEMBL1249954 0.77 ALOX15 (0.61) SMN1; SMN2ALOX15ALDH1A1TSHRNR4A1
SCHEMBL13958933 0.77 EPHX2 (0.62) SMN1; SMN2ALOX15EPHX2NR1H4ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP 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 (2 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 SMN1; SMN2 3203/4885ALOX15 1639/4885EPHX2 1061/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 SMN1; SMN2 3246/4885ALOX15 1250/4885EPHX2 799/4885

“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.