SCHEMBL20066069

SCHEMBL20066069

CCOC(=O)N(C)C1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPY1R P25929 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL20066002 0.94 CYP2D6 (0.50) CYP2D6ALDH1A1LMNAHRH3POLB
SCHEMBL20066001 0.94 CYP2D6 (0.50) CYP2D6ALDH1A1LMNAHRH3POLB
SCHEMBL11120276 0.81 OPRM1 (0.59) CYP2D6OPRD1
SCHEMBL20066073 0.81 CYP2D6 (0.49) CYP2D6ALDH1A1LMNAHRH3POLB
SCHEMBL23799165 0.80 CYP2D6 (0.49) CYP2D6HRH3KDM1AOPRD1OPRL1
SCHEMBL20066070 0.79 CYP2D6 (0.46) CYP2D6ALDH1A1LMNAPOLBPKM
SCHEMBL20066075 0.79 CYP2D6 (0.50) CYP2D6ALDH1A1LMNAPOLBPKM
SCHEMBL20066008 0.79 CYP2D6 (0.48) CYP2D6ALDH1A1LMNAHRH3POLB
SCHEMBL20066079 0.78 CYP2D6 (0.49) CYP2D6ALDH1A1LMNAHRH3POLB
SCHEMBL23778261 0.78 CYP2D6 (0.53) CYP2D6ALDH1A1HRH3KDM1AKMT2A

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 12 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
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
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 CYP2D6 216/4885ALDH1A1 2470/4885LMNA 2797/4885
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP2D6 261/4885ALDH1A1 2429/4885LMNA 2141/4885
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP2D6 261/4885ALDH1A1 2429/4885LMNA 2141/4885
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CYP2D6 261/4885ALDH1A1 2429/4885LMNA 2141/4885
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CYP2D6 261/4885ALDH1A1 2429/4885LMNA 2141/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP2D6 261/4885ALDH1A1 2429/4885LMNA 2141/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CYP2D6 182/4885ALDH1A1 1554/4885LMNA 2049/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CYP2D6 261/4885ALDH1A1 2429/4885LMNA 2141/4885

“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.