SCHEMBL23747249

SCHEMBL23747249

Fc1ccc(OC2CCCOC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.47
EIF4E P06730 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GRM5 P41594 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4D Q08499 9/20 0.37
PDE4A P27815 6/20 0.37
PDE4B Q07343 6/20 0.37
PDE4C Q08493 6/20 0.37
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
KMO O15229 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL27478491 0.83 CSNK2A1 (0.59) CSNK2A1NPC1RAB9AKMO
SCHEMBL2409169 0.80 EIF4E (0.47) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL2406543 0.80 EIF4E (0.47) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL2406550 0.80 EIF4E (0.47) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL16476505 0.77 MKNK1 (0.45) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL16476508 0.77 MKNK1 (0.54) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL2409593 0.75 EIF4E (0.43) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL2406582 0.75 EIF4E (0.43) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL2406590 0.75 EIF4E (0.43) EIF4EMKNK1MKNK2GRM5PDE4D
SCHEMBL255329 0.74 HTR2C (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 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 (2 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-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3915/4885EIF4E 3006/4885MKNK1 1294/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3712/4885EIF4E 2721/4885MKNK1 1306/4885

“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.