SCHEMBL20073787

SCHEMBL20073787

CCOC(=O)N[C@H]1CCN(C2CCC(C#N)(c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.43
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 4/20 0.41
CCR2 P41597 2/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL29709347 1.00 SLC6A5 (0.43) SLC6A5CYP2D6CHRM1CCR2KCNH2
SCHEMBL20073792 0.91 CCR2 (0.42) CYP2D6CHRM1CCR2KCNH2CTSL
SCHEMBL20066223 0.90 CYP2D6 (0.47) CYP2D6CHRM1CCR2KCNH2CTSL
SCHEMBL20073802 0.90 CYP2D6 (0.47) CYP2D6CHRM1CCR2KCNH2CTSL
SCHEMBL20073962 0.89 CYP2D6 (0.51) SLC6A5CYP2D6CHRM1MEN1KMT2A
SCHEMBL20073966 0.89 CYP2D6 (0.51) SLC6A5CYP2D6CHRM1MEN1KMT2A
SCHEMBL20073789 0.89 KMT2A (0.48) CYP2D6CHRM1CCR2KCNH2MEN1
SCHEMBL28310378 0.88 CTSL (0.41) CYP2D6CHRM1CCR2KCNH2MEN1
SCHEMBL20073797 0.84 CYP2D6 (0.54) SLC6A5CYP2D6CHRM1CCR2KCNH2
SCHEMBL20075017 0.84 CYP2D6 (0.54) SLC6A5CYP2D6CHRM1CCR2KCNH2

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
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2023-12-05 US disclosed
CN-109996792-B Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain 赫普泰雅治疗有限公司 2023-02-17 CN 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 SLC6A5 3231/4885CYP2D6 216/4885CHRM1 1/4885
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CYP2D6 261/4885CHRM1 1/4885
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CYP2D6 261/4885CHRM1 1/4885
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CYP2D6 261/4885CHRM1 1/4885
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CYP2D6 261/4885CHRM1 1/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CYP2D6 261/4885CHRM1 1/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 3893/4885CYP2D6 182/4885CHRM1 1/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CYP2D6 261/4885CHRM1 1/4885

“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.