SCHEMBL23778367

SCHEMBL23778367

CCOC(=O)NC[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
KDM1A O60341 1/20 0.49
CHRM4 P08173 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1D P25100 6/20 0.39
ADRA1A P35348 6/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
ADRA1B P35368 5/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 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
SCHEMBL23778311 1.00 CYP2D6 (0.52) CYP2D6KDM1ACHRM4ALDH1A1MEN1
SCHEMBL20066070 0.94 CYP2D6 (0.46) CYP2D6KDM1ACHRM4ALDH1A1MEN1
SCHEMBL23375451 0.89 KDM1A (0.55) CYP2D6KDM1ACHRM4MEN1KMT2A
SCHEMBL23375452 0.89 KDM1A (0.55) CYP2D6KDM1ACHRM4MEN1KMT2A
SCHEMBL20073962 0.85 CYP2D6 (0.51) CYP2D6KDM1AALDH1A1MEN1KMT2A
SCHEMBL20073966 0.85 CYP2D6 (0.51) CYP2D6KDM1AALDH1A1MEN1KMT2A
SCHEMBL28954166 0.84 KDM1A (0.53) CYP2D6KDM1ACHRM4MEN1KMT2A
SCHEMBL29709538 0.82 ALDH1A1 (0.37) CYP2D6KDM1AALDH1A1MEN1KMT2A
SCHEMBL20073700 0.79 OPRM1 (0.42) ALDH1A1MEN1KMT2AADRA1AACACB
SCHEMBL20066001 0.78 CYP2D6 (0.50) CYP2D6KDM1AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-07-07 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 (2 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-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP2D6 261/4885KDM1A 1427/4885CHRM4 3/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CYP2D6 261/4885KDM1A 1427/4885CHRM4 3/4885

“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.