SCHEMBL25868506

SCHEMBL25868506

CC[C@@H]1CCC(=O)N1c1ccc(Br)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.37
BRD4 O60885 1/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
MAP4K1 Q92918 1/20 0.31
P2RX7 Q99572 3/20 0.31
NOTUM Q6P988 3/20 0.31

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
SCHEMBL21314738 0.86 HDAC1 (0.38) PER2HDAC1HDAC8HDAC6HDAC5
SCHEMBL21314741 0.86 HDAC1 (0.38) PER2HDAC1HDAC8HDAC6HDAC5
SCHEMBL30832925 0.86 HDAC1 (0.38) PER2HDAC1HDAC8HDAC6HDAC5
SCHEMBL21314781 0.81 RAPGEF3 (0.39) PER2HDAC1HDAC8HDAC6HDAC5
SCHEMBL30832909 0.81 RAPGEF3 (0.39) PER2HDAC1HDAC8HDAC6HDAC5
SCHEMBL21314771 0.79 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5
SCHEMBL30832924 0.79 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5
SCHEMBL21314774 0.79 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5
SCHEMBL9893128 0.76 PER2 (0.48) PER2BRD4NOTUM
SCHEMBL9893095 0.74 NOTUM (0.50) PER2BRD4HDAC1HDAC8HDAC6

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-11708327-B2 Phenylpyrrolidinone formyl peptide 2 receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-25 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-11708327-B2 Phenylpyrrolidinone formyl peptide 2 receptor agonists FPR1, FPR2, FPR3 PER2 1262/4885BRD4 2519/4885HDAC1 3925/4885

“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.