SCHEMBL23745599

SCHEMBL23745599

NC1CCC(NCCC(c2cccnc2)c2cn(CC3CCCCC3)c3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.43
CNR1 P21554 2/20 0.38
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
SOS1 Q07889 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PADI4 Q9UM07 1/20 0.34
AGTR2 P50052 1/20 0.34
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
GBA1 P04062 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 SCHEMBL23722095 0.99 MPO (0.42) MPOCNR1PDE4APDE4BPDE4C
SCHEMBL23745569 0.90 SOS1 (0.48) MPOCNR1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL23722157 0.89 SOS1 (0.47) MPOCNR1PDE4APDE4BPDE4C
SCHEMBL23745614 0.86 MPO (0.44) MPOSOS1F2PRSS1AGTR2
Hydrochloric Acid SCHEMBL23722090 0.85 MPO (0.43) MPOSOS1F2PRSS1AGTR2
SCHEMBL23745683 0.85 CNR1 (0.38) MPOCNR1PDE4APDE4BPDE4C
SCHEMBL23745576 0.85 CNR1 (0.38) MPOCNR1PDE4APDE4BPDE4C
SCHEMBL23745685 0.85 CNR1 (0.38) MPOCNR1PDE4APDE4BPDE4C
SCHEMBL23745690 0.85 CNR1 (0.38) MPOCNR1PDE4APDE4BPDE4C
SCHEMBL23745479 0.84 CNR1 (0.39) MPOCNR1PDE4APDE4BPDE4C

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 MPO 17/4885CNR1 1651/4885PDE4A 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.