SCHEMBL23745716

SCHEMBL23745716

NCCCNCCC(c1cccnc1)c1cn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
PADI4 Q9UM07 1/20 0.36
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
GBA1 P04062 2/20 0.33
MPO P05164 1/20 0.33
AKT1 P31749 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRM1 Q13255 1/20 0.33
NAMPT P43490 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKCG P05129 1/20 0.33

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
Hydrochloric Acid SCHEMBL23722189 0.99 CNR1 (0.38) CNR1PADI4PDE4APDE4BPDE4C
SCHEMBL23745835 0.86 KDM4E (0.35) MPOAKT1ROCK2MAP4K4PRKCG
Hydrochloric Acid SCHEMBL23722121 0.85 KDM4E (0.35) MPOAKT1ROCK2MAP4K4PRKCG
SCHEMBL23745823 0.84 CNR1 (0.38) CNR1PADI4PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL23722097 0.84 CNR1 (0.38) CNR1PADI4PDE4APDE4BPDE4C
SCHEMBL23745599 0.84 MPO (0.43) CNR1PADI4PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL23722095 0.83 MPO (0.42) CNR1PADI4PDE4APDE4BPDE4C
SCHEMBL23745569 0.82 SOS1 (0.48) CNR1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL23722157 0.81 SOS1 (0.47) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL23745689 0.76 KDM4E (0.40) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1

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 1 patent. 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

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 1651/4885PADI4 1142/4885PDE4A 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.