Octane

Octane

SCHEMBL5003524

CCCCCCCC.NC(=O)O

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.60
PPARG P37231 7/20 0.60
PPARD Q03181 7/20 0.60
PPARA Q07869 7/20 0.60
HDAC11 Q96DB2 5/20 0.60
TSHR P16473 5/20 0.60
PTPN1 P18031 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TLR2 O60603 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
FABP4 P15090 2/20 0.60
KMT2A Q03164 2/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
MEN1 O00255 1/20 0.60
ESR1 P03372 1/20 0.60
ALOX15 P16050 1/20 0.60
PDE4A P27815 1/20 0.60
PDE3A Q14432 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
Carbamic Acid SCHEMBL28302060 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Tetradecane SCHEMBL28208527 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Nonane SCHEMBL22572441 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL27918550 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Tridecane SCHEMBL27724169 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Dodecane SCHEMBL28025678 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Hexadecane SCHEMBL28168062 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
Hexane SCHEMBL7079135 0.97 AKR1B1 (0.58) GPR84PPARGPPARDPPARAHDAC11
Hexane SCHEMBL15520155 0.93 AKR1B1 (0.55) GPR84PPARGPPARDPPARAHDAC11
Decane SCHEMBL31452069 0.90 CES2 (0.58) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461336-B1 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2013-05-22 EP disclosed
CN-1832948-B 1- alkyl-1-azoniabicyclo (2.2.2) octane carbamate derivatives and their use as muscarinic receptor antagonists S A L V A T LAB SA 2011-06-15 CN disclosed
CN-1832948-B 1- alkyl-1-azoniabicyclo (2.2.2) octane carbamate derivatives and their use as muscarinic receptor antagonists S A L V A T LAB SA 2011-06-15 CN disclosed
US-7452904-B2 1-alkyl-1-azoniabicyclo' 2.2.2 octane carbamate derivatives and their use as muscarinic receptor antagonists CHIESI FARMACEUTICI S.P.A. (IT) 2008-11-18 US disclosed
CN-1832948-A 1- alkyl-1-azoniabicyclo (2.2.2) octane carbamate derivatives and their use as muscarinic receptor antagonists S A L V A T LAB SA (IT) 2006-09-13 CN disclosed
CN-1832948-A 1- alkyl-1-azoniabicyclo (2.2.2) octane carbamate derivatives and their use as muscarinic receptor antagonists S A L V A T LAB SA (IT) 2006-09-13 CN disclosed
US-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists LABORATORIOS S.A.L.V.A.T. (ES) 2005-02-24 US disclosed
EP-1461336-A2 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-09-29 EP disclosed
WO-2003053966-A8 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS S A L V A T LAB SA (ES) 2004-06-24 WO disclosed
WO-2003053966-A3 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS S A L V A T LAB SA (ES) 2003-11-13 WO disclosed
WO-2003053966-A2 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-07-03 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 (1 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-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 GPR84 80/4885PPARG 752/4885PPARD 1139/4885

“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.