SCHEMBL22032096

SCHEMBL22032096

CCOC(=O)N1CC2(CCC(N3CC(OC(=O)N4CCOCC4)C3)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
RECQL P46063 1/20 0.45
CHRM1 P11229 7/20 0.40
CHRM4 P08173 6/20 0.40
CHRM2 P08172 3/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.36
METAP2 P50579 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24106281 0.96 TSHR (0.44) TSHRRECQLCHRM1CHRM4CHRM2
SCHEMBL22032070 0.90 CHRM1 (0.41) CHRM1CHRM4CHRM2POLBALDH1A1
SCHEMBL24106340 0.88 CHRM1 (0.39) TSHRRECQLCHRM1CHRM4CHRM2
SCHEMBL22079714 0.85 TSHR (0.45) TSHRRECQLCHRM1CHRM4CHRM2
SCHEMBL22032074 0.81 CHRM1 (0.38) CHRM1CHRM4CHRM2GAA
SCHEMBL22032493 0.80 BCHE (0.41) CHRM1CHRM4CHRM2
SCHEMBL20585613 0.75 CHRM4 (0.41) CHRM1CHRM4CHRM2POLBSMN1; SMN2
SCHEMBL20585612 0.75 CHRM4 (0.41) CHRM1CHRM4CHRM2POLBSMN1; SMN2
SCHEMBL20585610 0.75 CHRM4 (0.41) CHRM1CHRM4CHRM2POLBSMN1; SMN2
SCHEMBL21401666 0.75 CHRM4 (0.45) TSHRCHRM1CHRM4CHRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945801-B2 Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-04-02 US claimed
US-20210387969-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2021-12-16 US claimed
EP-3891140-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2021-10-13 EP claimed
WO-2020115505-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-11 WO claimed
US-11945801-B2 Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-04-02 US disclosed
US-20210387969-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2021-12-16 US disclosed
US-20210387969-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2021-12-16 US disclosed
EP-3891140-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2021-10-13 EP disclosed
WO-2020115505-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-11 WO 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-20210387969-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 TSHR 81/4885RECQL 1199/4885CHRM1 1/4885
US-11945801-B2 Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 TSHR 81/4885RECQL 1199/4885CHRM1 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.