SCHEMBL20073886

SCHEMBL20073886

CCOC(=O)N[C@H]1CCN(C2CCC3(CC2)C(=O)Nc2ccc(OC)cc23)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPK14 Q16539 1/20 0.38
CHRM1 P11229 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM2B Q8NHM5 6/20 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
SCHEMBL29709348 0.93 MAPK14 (0.43) MAPKAPK2MAPK14CHRM1ALDH1A1MEN1
SCHEMBL20073892 0.93 MAPK14 (0.43) MAPKAPK2MAPK14CHRM1ALDH1A1MEN1
SCHEMBL20073880 0.90 MAPK14 (0.40) MAPK14CHRM1
SCHEMBL24609136 0.90 MAPK14 (0.40) MAPK14CHRM1
SCHEMBL23778447 0.90 NQO2 (0.41) NQO2MAPK14KDM2B
SCHEMBL20073893 0.89 IP6K1 (0.40) MAPK14CHRM1ALDH1A1MEN1KMT2A
SCHEMBL20073879 0.87 CHRM1 (0.45) MAPK14CHRM1ALDH1A1KDM4E
SCHEMBL29709346 0.87 CHRM1 (0.45) MAPK14CHRM1ALDH1A1KDM4E
SCHEMBL20073883 0.87 CHRM1 (0.45) MAPK14CHRM1ALDH1A1KDM4E
SCHEMBL29709353 0.87 CHRM1 (0.45) MAPK14CHRM1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-09-17 US 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
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-04-16 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
US-20180105491-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2018-04-19 US 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 (8 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-20180105491-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 NQO2 331/4885MAPKAPK2 3978/4885MAPK14 4330/4885
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 NQO2 528/4885MAPKAPK2 3945/4885MAPK14 4186/4885
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 NQO2 528/4885MAPKAPK2 3945/4885MAPK14 4186/4885
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 NQO2 528/4885MAPKAPK2 3945/4885MAPK14 4186/4885
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 NQO2 528/4885MAPKAPK2 3945/4885MAPK14 4186/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 NQO2 528/4885MAPKAPK2 3945/4885MAPK14 4186/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 NQO2 531/4885MAPKAPK2 3883/4885MAPK14 4133/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 NQO2 528/4885MAPKAPK2 3945/4885MAPK14 4186/4885

“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.