SCHEMBL22439554

SCHEMBL22439554

CCOC(=O)CC(c1cccc(C)c1)c1cn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ICMT O60725 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.38
OPRD1 P41143 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38

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
SCHEMBL22439066 0.90 CNR1 (0.47) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL23745536 0.88 ICMT (0.47) CNR1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL23722177 0.87 ICMT (0.46) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL23745376 0.85 KDM4E (0.43) L3MBTL1ALDH1A1NPSR1MAPTMGAM
SCHEMBL23722152 0.85 KMT2A (0.46) CNR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL22439466 0.83 ALDH1A1 (0.50) CNR1L3MBTL1POLBALDH1A1NPSR1
SCHEMBL23745813 0.83 CNR1 (0.44) CNR1POLBTDP1ICMTMAPT
SCHEMBL23745698 0.82 CNR1 (0.43) CNR1ICMTMAPTTPSAB1
SCHEMBL23745791 0.82 CNR1 (0.43) CNR1ICMTMAPT
SCHEMBL23745504 0.82 CNR1 (0.40) CNR1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 US disclosed
EP-3710426-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF Bioimics AB (SE) 2020-09-23 EP disclosed
CN-111566085-A Anti-infective heterocyclic compounds and uses thereof 百欧伊米克思有限公司 2020-08-21 CN 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 (1 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 CNR1 1651/4885L3MBTL1 3433/4885PDE4A 3715/4885

“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.