SCHEMBL22449321

SCHEMBL22449321

COC(=O)N1C2COCC1CC(N1CCC(N3CCCCCC3=O)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.34
VNN1 O95497 1/20 0.33
PSMB9 P28065 4/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.32
NPY5R Q15761 1/20 0.32
KDM5A P29375 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL22449317 0.99 MMP13 (0.34) MMP13VNN1PSMB9KDM4ESMN1; SMN2
SCHEMBL21597934 0.89 MAPK1 (0.41) KMT2AMAPK1
SCHEMBL22449299 0.88 MAPK1 (0.39) KMT2ALTA4HMAPK1AOC3
SCHEMBL27176059 0.86 LTA4H (0.34) VNN1KDM4ELTA4HNPY5RKDM5A
SCHEMBL22472880 0.85 MMP13 (0.35) MMP13VNN1KDM4ESMN1; SMN2NPC1
SCHEMBL27176063 0.85 LTA4H (0.35) MMP13VNN1LTA4HNPY5RKDM5A
SCHEMBL22472924 0.84 MMP13 (0.36) MMP13VNN1KDM4ESMN1; SMN2NPC1
SCHEMBL22472933 0.77 HPGD (0.44) SMN1; SMN2KMT2AALDH1A1
SCHEMBL22472926 0.74 MAPK1 (0.43) KMT2AALDH1A1MAPK1AOC3
SCHEMBL30841878 0.73 LTA4H (0.36) LTA4HKDM5A

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 MMP13 4317/4885VNN1 2471/4885PSMB9 4027/4885
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 MMP13 4317/4885VNN1 2471/4885PSMB9 4027/4885
US-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 MMP13 4317/4885VNN1 2471/4885PSMB9 4027/4885

“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.