SCHEMBL23745845

SCHEMBL23745845

Cc1cccc(C(CCNC[C@H]2CC[C@H](CN)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.39
ESRRA P11474 2/20 0.37
ICMT O60725 1/20 0.37
WNK1 Q9H4A3 2/20 0.36
TPSAB1 Q15661 1/20 0.36
PADI4 Q9UM07 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
P2RX7 Q99572 1/20 0.34
BCHE P06276 1/20 0.34
HTR6 P50406 1/20 0.34
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL23721913 1.00 CNR1 (0.39) CNR1ESRRAICMTWNK1TPSAB1
SCHEMBL23745823 0.88 CNR1 (0.38) CNR1ESRRAICMTTPSAB1PADI4
Hydrochloric Acid SCHEMBL23722097 0.87 CNR1 (0.38) CNR1ESRRAICMTTPSAB1PADI4
SCHEMBL23745701 0.86 CNR1 (0.43) CNR1ICMTTPSAB1MAPTP2RX7
SCHEMBL23745698 0.86 CNR1 (0.43) CNR1ICMTTPSAB1MAPTP2RX7
SCHEMBL23745733 0.84 CNR1 (0.41) CNR1ICMTPADI4MAPTPDE4A
Hydrochloric Acid SCHEMBL23722160 0.84 CNR1 (0.40) CNR1ICMTPADI4MAPTPDE4A
SCHEMBL23745738 0.83 CNR1 (0.41) CNR1ICMTTPSAB1MAPTTP53
SCHEMBL23745690 0.82 CNR1 (0.38) CNR1ICMTTPSAB1PADI4MAPT
SCHEMBL23745523 0.82 CNR1 (0.40) CNR1ICMTTPSAB1PADI4MAPT

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 1651/4885ESRRA 4740/4885ICMT 345/4885

“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.