Isalmadol

Isalmadol

SCHEMBL5534029

CN(C)CC1CCCCC1(O)c1cccc(OC(=O)c2ccccc2O)c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.66
SLC6A4 P31645 10/20 0.66
OPRM1 P35372 9/20 0.66
OPRD1 P41143 7/20 0.66
OPRK1 P41145 4/20 0.66
SLC22A1 O15245 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
HTR3A P46098 2/20 0.45
HTR4 Q13639 1/20 0.45

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
Isalmadol SCHEMBL29711375 1.00 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1OPRK1
Isalmadol SCHEMBL6437705 1.00 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5155786 0.90 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL159543 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL15654221 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29966428 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL20473750 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL158342 0.89 SLC6A2 (0.73) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL17506037 0.89 OPRM1 (0.62) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL19461051 0.89 OPRM1 (0.62) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127871-B1 NEW ESTERS DERIVED FROM SUBSTITUTED PHENYL-CYCLOHEXYL COMPOUNDS VITA LAB (ES) 2003-09-10 EP claimed
US-20030100598-A1 Novel esters derived from (rr,ss)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxycyclohexyl)phenyl LABORATORIOS VITA, S.A. (ES) 2003-05-29 US claimed
US-6455585-B1 HAVE A HIGHER ANALGESIC ACTIVITY, A LOWER TOXICITY AND A LONGER EFFECTIVE TIME PERIOD THAN TRAMADOL. VITA INVEST, S.A. (ES) 2002-09-24 US claimed
EP-1127871-A1 NEW ESTERS DERIVED FROM SUBSTITUTED PHENYL-CYCLOHEXYL COMPOUNDS VITA-INVEST, S.A. (ES) 2001-08-29 EP claimed
WO-2007059894-A2 MULTI-CYCLIC COMPOUNDS IN PRESSURE-SENSITIVE ADHESIVES Grünenthal GmbH (DE) 2007-05-31 WO disclosed
US-6894076-B2 Esters derived from (RR,SS)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxycyclohexyl)phenyl VITA-INVEST, S.A. (ES) 2005-05-17 US disclosed
US-6894076-B2 Esters derived from (RR,SS)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxycyclohexyl)phenyl VITA-INVEST, S.A. (ES) 2005-05-17 US disclosed
EP-1251120-B1 ESTERS DERIVED FROM (RR,SS)-2-HYDROXYBENZOATE OF 3-(2-DIMETHYLAMINOMETHYL-1-HYDROXYCYCLOHEXYL)PHENYL VITA LAB (ES) 2004-12-08 EP disclosed
EP-1127871-B1 NEW ESTERS DERIVED FROM SUBSTITUTED PHENYL-CYCLOHEXYL COMPOUNDS VITA LAB (ES) 2003-09-10 EP disclosed
US-20030100598-A1 Novel esters derived from (rr,ss)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxycyclohexyl)phenyl LABORATORIOS VITA, S.A. (ES) 2003-05-29 US disclosed
CN-1414946-A Novel esters derived from (RR,SS)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxy cyclohexyl) phenyl VITA INVEST SA (ES) 2003-04-30 CN disclosed
EP-1251120-A1 NOVEL ESTERS DERIVED FROM (RR,SS)-2-HYDROXYBENZOATE OF 3-(2-DIMETHYLAMINOMETHYL-1-HYDROXYCYCLOHEXYL)PHENYL VITA-INVEST, S.A. (ES) 2002-10-23 EP disclosed
EP-1251120-A1 NOVEL ESTERS DERIVED FROM (RR,SS)-2-HYDROXYBENZOATE OF 3-(2-DIMETHYLAMINOMETHYL-1-HYDROXYCYCLOHEXYL)PHENYL VITA-INVEST, S.A. (ES) 2002-10-23 EP disclosed
US-6455585-B1 HAVE A HIGHER ANALGESIC ACTIVITY, A LOWER TOXICITY AND A LONGER EFFECTIVE TIME PERIOD THAN TRAMADOL. VITA INVEST, S.A. (ES) 2002-09-24 US disclosed
EP-1127871-A1 NEW ESTERS DERIVED FROM SUBSTITUTED PHENYL-CYCLOHEXYL COMPOUNDS VITA-INVEST, S.A. (ES) 2001-08-29 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 (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-20030100598-A1 Novel esters derived from (rr,ss)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxycyclohexyl)phenyl OPRK1, CYP2E1, OPRD1 SLC6A2 1155/4885SLC6A4 576/4885OPRM1 15/4885

“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.