SCHEMBL23768192

SCHEMBL23768192

CC(C)NC(=O)C1Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
FFAR2 O15552 1/20 0.42
PSMB5 P28074 1/20 0.40
KCNQ2 O43526 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RECQL P46063 1/20 0.40
F2 P00734 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
GRM7 Q14831 2/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL21016972 0.81 P2RX7 (0.52) P2RX7KCNQ2HDAC4HDAC7HDAC5
SCHEMBL28623508 0.80 MAPT (0.48)
SCHEMBL26534229 0.77 ACKR3 (0.53) P2RX7FFAR2KCNQ2HDAC4HDAC7
SCHEMBL13979540 0.74 P2RX7 (0.45) P2RX7HDAC4HDAC7HDAC5
SCHEMBL3136218 0.74 P2RX7 (0.46) P2RX7HDAC4HDAC7HDAC5POLB
SCHEMBL13761340 0.73 PRMT5 (0.46) RECQLF2POLBACKR3
SCHEMBL14014153 0.73 NPC1 (0.54) P2RX7POLBACKR3
SCHEMBL4707323 0.73 TSHR (0.41) HDAC4HDAC7HDAC5RECQLF2
SCHEMBL29559032 0.72 ALDH1A1 (0.53) P2RX7HDAC4HDAC7HDAC5TSHR
SCHEMBL2083786 0.72 ALDH1A1 (0.53) P2RX7HDAC4HDAC7HDAC5TSHR

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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 P2RX7 1667/4885FFAR2 1485/4885PSMB5 4026/4885

“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.