SCHEMBL20075039

SCHEMBL20075039

CCOC(=O)N[C@@H]1CCN(C2CCC(C#N)(c3ccc(Cl)cn3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.39
CHRM1 P11229 3/20 0.38
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
CCR2 P41597 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
USP30 Q70CQ3 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20066219 1.00 SLC6A5 (0.39) SLC6A5CHRM1EGFRLCKJAK3
SCHEMBL29709340 1.00 SLC6A5 (0.39) SLC6A5CHRM1EGFRLCKJAK3
SCHEMBL20074569 0.90 CYP2D6 (0.40) SLC6A5CHRM1EGFRLCKJAK3
SCHEMBL20886049 0.88 SLC6A5 (0.37) SLC6A5CCR2USP30
SCHEMBL20886050 0.88 SLC6A5 (0.37) SLC6A5CCR2USP30
SCHEMBL29709337 0.88 JAK3 (0.46) SLC6A5JAK3BTKCNR1CNR2
SCHEMBL20066221 0.88 JAK3 (0.46) SLC6A5JAK3BTKCNR1CNR2
SCHEMBL29709538 0.86 ALDH1A1 (0.37) USP30ALDH1A1TSHRPOLBKDM4E
SCHEMBL20073794 0.86 CCR2 (0.46) SLC6A5CHRM1CCR2
SCHEMBL20073795 0.86 CCR2 (0.46) SLC6A5CHRM1CCR2

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 10 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
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 3231/4885CHRM1 1/4885EGFR 1440/4885
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CHRM1 1/4885EGFR 1107/4885
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CHRM1 1/4885EGFR 1107/4885
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CHRM1 1/4885EGFR 1107/4885
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CHRM1 1/4885EGFR 1107/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CHRM1 1/4885EGFR 1107/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 3893/4885CHRM1 1/4885EGFR 2091/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC6A5 4141/4885CHRM1 1/4885EGFR 1107/4885

“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.