SCHEMBL22449313

SCHEMBL22449313

COC(=O)N1C2COCC1CC(N1CCC(c3ccc[nH]c3=O)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.40
CHRM4 P08173 9/20 0.40
CHRM2 P08172 3/20 0.40
CHRM5 P08912 1/20 0.35
CALCRL Q16602 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SOS1 Q07889 2/20 0.33
EZH2 Q15910 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL21597917 0.90 CHRM1 (0.43) CHRM1CHRM4CHRM2CHRM5ALDH1A1
SCHEMBL27176058 0.88 CHRM4 (0.37) CHRM1CHRM4CHRM2CALCRLSMYD3
SCHEMBL22472943 0.86 ALDH1A1 (0.38) CHRM1CHRM4CHRM2CALCRLSMYD3
SCHEMBL22449311 0.80 IDO1 (0.42) CHRM1CHRM4CHRM2
SCHEMBL22472865 0.76 ALDH1A1 (0.41) CHRM1CHRM4CHRM2CHRM5ALDH1A1
SCHEMBL31288633 0.74 HTR1A (0.49) CHRM1CHRM4CHRM2IRAK4
SCHEMBL22449326 0.74 HTR1A (0.49) CHRM1CHRM4CHRM2IRAK4
SCHEMBL16992501 0.73 CHRM4 (0.50) CHRM1CHRM4CHRM2CHRM5
SCHEMBL21597912 0.71 CHRM4 (0.47) CHRM1CHRM4CHRM2CHRM5
SCHEMBL27176076 0.70 CHRM4 (0.40) CHRM1CHRM4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585143-B Bridging compounds as agonists of muscarinic M1 and/or M4 receptors 奈克斯拉制药英国有限公司 2024-11-12 CN claimed
EP-3810614-B1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP claimed
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 US claimed
EP-3810614-B1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-01-07 US disclosed
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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 (3 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-11773090-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRM4 3/4885CHRM2 2/4885
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRM4 3/4885CHRM2 2/4885
US-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRM4 3/4885CHRM2 2/4885

“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.