SCHEMBL22032090

SCHEMBL22032090

CCOC(=O)N1CC2CCC1CC2N1CC(CC(=O)N2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.39
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 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
SCHEMBL22032093 0.90 TSHR (0.40) CHRM1ALDH1A1TP53TDP1POLB
SCHEMBL22032116 0.84 CHRM1 (0.40) CHRM1ALDH1A1MAPK1TP53TDP1
SCHEMBL22032121 0.84 CHRM1 (0.40) CHRM1ALDH1A1MAPK1TP53TDP1
SCHEMBL24106280 0.84 CHRM1 (0.40) CHRM1ALDH1A1MAPK1TP53TDP1
SCHEMBL22032105 0.83 TP53 (0.39) CHRM1ALDH1A1MAPK1TP53TDP1
SCHEMBL22032118 0.83
SCHEMBL22032103 0.82 TP53 (0.32) CHRM1TP53TDP1
SCHEMBL22032095 0.79 TP53 (0.36) CHRM1ALDH1A1TP53TDP1KDM4E
SCHEMBL22032111 0.78 CHRM1 (0.52) CHRM1ALDH1A1MAPK1POLBKDM4E
SCHEMBL22032089 0.78 TP53 (0.32) CHRM1ALDH1A1TP53TDP1KDM4E

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-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
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 CHRM1 1/4885ALDH1A1 1576/4885MAPK1 2288/4885
US-11945801-B2 Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CHRM1 1/4885ALDH1A1 1576/4885MAPK1 2288/4885

“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.