SCHEMBL5831345

SCHEMBL5831345

CCc1cc(Oc2ccc(CC(C)(C)N)cc2)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 2/20 0.41
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GHSR Q92847 3/20 0.39
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 2/20 0.37
BLM P54132 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL28032023 0.83 POLB (0.47) POLBCYP2C9NPC1RAB9AKDM4E
SCHEMBL5831185 0.77 SLC6A2 (0.35) POLBPPARGSLC6A2TAAR1GHSR
SCHEMBL30726090 0.76 POLB (0.54) POLBCYP2C9NPC1RAB9APPARG
SCHEMBL5831461 0.76 SLC6A2 (0.36) POLBRAB9ASLC6A2TAAR1GHSR
SCHEMBL5830694 0.73 PARP10 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5830930 0.73 LPAR1 (0.37) POLBPPARGSLC6A2TAAR1HTR2A
SCHEMBL5830929 0.73 ESRRA (0.45) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL6393425 0.72 ALDH1A1 (0.52) RAB9AALDH1A1GAATDP1
SCHEMBL687106 0.72 KDM4E (0.53) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL5830710 0.72 ESR1 (0.53) SLC6A2TAAR1HTR2ASLC6A4HRH1

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 POLB 3270/4885CYP2C9 1011/4885NPC1 1881/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 POLB 2725/4885CYP2C9 1174/4885NPC1 2088/4885

“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.