SCHEMBL20073897

SCHEMBL20073897

CC(C)(C)OC(=O)NCC1CCN(C2CCC3(CC2)C(=O)Nc2ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
OPRL1 P41146 1/20 0.44
ACACB O00763 5/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
KDM1A O60341 1/20 0.40
ACACA Q13085 4/20 0.40
PSMB1 P20618 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB2 P49721 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.40
NR1H2 P55055 3/20 0.40

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
SCHEMBL20066072 0.88 OPRM1 (0.44) OPRM1OPRK1OPRL1KDM4EOPRD1
SCHEMBL29709409 0.88 OPRM1 (0.44) OPRM1OPRK1OPRL1KDM4EOPRD1
SCHEMBL20073985 0.82 OPRM1 (0.52) OPRM1OPRK1OPRL1
SCHEMBL20066170 0.77 OPRM1 (0.58) OPRM1OPRK1OPRL1
SCHEMBL29709310 0.76 MAPK14 (0.46) DRD2OPRM1OPRK1OPRL1KDM4E
SCHEMBL20066071 0.76 MAPK14 (0.46) DRD2OPRM1OPRK1OPRL1KDM4E
Trifluoroacetic Acid SCHEMBL23778426 0.75 OPRM1 (0.49) OPRM1OPRK1OPRL1
SCHEMBL23778253 0.74 OPRM1 (0.46) OPRM1OPRK1OPRL1
SCHEMBL23778419 0.74 BACE1 (0.44) OPRM1OPRK1OPRL1
SCHEMBL31333930 0.74 ACACB (0.46) DRD2CKS1BSKP1SKP2ACACB

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-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2023-12-05 US disclosed
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2023-12-05 US disclosed
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-07-07 US disclosed
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-07-07 US disclosed
EP-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-01 US disclosed
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2019-07-04 US disclosed
WO-2018069732-A1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LIMITED (GB) 2018-04-19 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-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 DRD2 321/4885OPRM1 27/4885OPRK1 78/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 DRD2 321/4885OPRM1 27/4885OPRK1 78/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 DRD2 301/4885OPRM1 41/4885OPRK1 90/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 DRD2 321/4885OPRM1 27/4885OPRK1 78/4885

“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.