SCHEMBL23745678

SCHEMBL23745678

Cc1cccc(C(CCN[C@H]2CC[C@H](N)CC2)c2cn(CC3CCCC3)c3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.37
CNR1 P21554 5/20 0.36
SOS1 Q07889 1/20 0.35
MAPT P10636 2/20 0.35
PADI4 Q9UM07 1/20 0.35
ICMT O60725 1/20 0.35
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TPSAB1 Q15661 1/20 0.32
CNR2 P34972 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
SCHEMBL23745690 0.99 CNR1 (0.38) MPOCNR1SOS1MAPTPADI4
Hydrochloric Acid SCHEMBL23722018 0.99 MPO (0.36) MPOCNR1SOS1MAPTPADI4
SCHEMBL23745691 0.99 CNR1 (0.38) MPOCNR1SOS1MAPTPADI4
SCHEMBL23745852 0.99 CNR1 (0.38) MPOCNR1SOS1MAPTPADI4
Hydrochloric Acid SCHEMBL23721956 0.98 CNR1 (0.37) MPOCNR1SOS1MAPTPADI4
Hydrochloric Acid SCHEMBL23722162 0.98 CNR1 (0.37) MPOCNR1SOS1MAPTPADI4
SCHEMBL23745733 0.93 CNR1 (0.41) MPOCNR1SOS1MAPTPADI4
SCHEMBL23745812 0.93 SOS1 (0.42) MPOSOS1MAPTICMTMEN1
Hydrochloric Acid SCHEMBL23722160 0.92 CNR1 (0.40) MPOCNR1SOS1MAPTPADI4
Hydrochloric Acid SCHEMBL23721995 0.92 SOS1 (0.41) MPOSOS1MAPTICMTMEN1

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 1651/4885SOS1 2902/4885

“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.