SCHEMBL4393890

SCHEMBL4393890

CNCC1CCCCC1(O)c1cccc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 1.00
SLC6A4 P31645 16/20 0.71
SLC6A2 P23975 15/20 0.71
OPRM1 P35372 11/20 0.71
OPRD1 P41143 2/20 0.71
OPRK1 P41145 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CHRM2 P08172 1/20 0.71
CHRM1 P11229 1/20 0.71
HTR3A P46098 2/20 0.48
HTR4 Q13639 1/20 0.48

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
SCHEMBL14532254 1.00 SLC22A1 (1.00) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL4393885 1.00 SLC22A1 (1.00) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL4393889 1.00 SLC22A1 (1.00) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL13942259 1.00 SLC22A1 (1.00) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL11154779 0.87 SLC22A1 (0.76) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL14538756 0.86 SLC6A4 (0.76) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL19021691 0.85 SLC22A1 (0.74) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL5411927 0.85 SLC6A4 (0.74) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL220363 0.85 SLC6A4 (0.74) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL13007830 0.85 SLC6A4 (0.74) SLC22A1SLC6A4SLC6A2OPRM1OPRD1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10416175-B2 Opioid detection RANDOX LABORATORIES LIMITED (GB) 2019-09-17 US disclosed
EP-3296289-A2 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sunovion Pharmaceuticals Inc. (US) 2018-03-21 EP disclosed
US-20170204050-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REPUTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2017-07-20 US disclosed
US-20170204050-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REPUTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2017-07-20 US disclosed
EP-3185015-A1 OPIOID DETECTION Randox Laboratories Ltd. (GB) 2017-06-28 EP disclosed
US-20170176476-A1 Opioid Detection NORTHERN BANK LIMITED (IE) 2017-06-22 US disclosed
EP-2185501-B1 CRYSTALLINE FORM OF (R,R)-TRAMADOL-(S)-NAPROXEN SALT FOR THE TREATMENT OF PAIN ESTEVE LABOR DR (ES) 2017-04-19 EP disclosed
US-9586888-B2 Phenyl substituted cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-03-07 US disclosed
US-9586888-B2 Phenyl substituted cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-03-07 US disclosed
US-9339484-B2 Compositions and methods for the treatment of restless leg syndrome and fibromyalgia CELLIX BIO PRIVATE LIMITED (IN) 2016-05-17 US disclosed
EP-1988398-B1 Immunoassay for tramadol and its major metabolites RANDOX LAB LTD (GB) 2009-12-16 EP disclosed
US-20090005456-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2009-01-01 US disclosed
US-20090005456-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2009-01-01 US disclosed
WO-2008151156-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2008-12-11 WO disclosed
EP-1988398-A1 Immunoassay for tramadol and its major metabolites Randox Laboratories Ltd. (GB) 2008-11-05 EP disclosed
EP-0010717-B1 6,7-CYCLOALKANO-1,4-OXAZEPINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-09-21 EP disclosed
US-4336263-A 1,4-Cycloalkano-oxazepines, salts thereof and analgesic uses thereof BASF AKTIENGESELLSCHAFT (DE) 1982-06-22 US disclosed
EP-0020515-A1 NOVEL 1,4-CYCLO-ALKANO-OXAZEPINES,THEIR PROCESS OF MANUFACTURE, PHARMACEUTICALS CONTAINING THEM AND THEIR UTILISATION BASF Aktiengesellschaft (DE) 1981-01-07 EP disclosed
EP-0010717-A1 6,7-Cycloalkano-1,4-oxazepines, process for their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed
WO-1980000838-A1 NOVEL 1,4-CYCLO-ALKANO-OXAZEPINES,THEIR PROCESS OF MANUFACTURE,PHARMACEUTICALS CONTAINING THEM AND THEIR UTILISATION BASF AG (DE) 1980-05-01 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 (4 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-10416175-B2 Opioid detection OPRM1, OPRK1, OPRD1 SLC22A1 3022/4885SLC6A4 432/4885SLC6A2 630/4885
US-20090005456-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC22A1 443/4885SLC6A4 4/4885SLC6A2 2/4885
US-20170176476-A1 Opioid Detection OPRM1, OPRK1, OPRD1 SLC22A1 3022/4885SLC6A4 432/4885SLC6A2 630/4885
US-20170204050-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REPUTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC22A1 625/4885SLC6A4 4/4885SLC6A2 3/4885

“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.