SCHEMBL21297271

SCHEMBL21297271

CC(C)(C)c1ccc(NC2CCOCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.43
BACE2 Q9Y5Z0 5/20 0.43
EPHX2 P34913 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PIM1 P11309 2/20 0.36
MAPK1 P28482 2/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
OPRL1 P41146 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL18466056 0.88 BACE1 (0.46) BACE1BACE2PTGS1PTGS2PIM1
SCHEMBL25042151 0.82 ROCK2 (0.40) BACE1BACE2PTGS1PTGS2CNR2
SCHEMBL17070966 0.82 NR1H4 (0.44) BACE1BACE2PIM1MAPK1OPRL1
SCHEMBL171233 0.80 BACE1 (0.46) BACE1BACE2PTGS1PTGS2PIM1
SCHEMBL18466257 0.77 FYN (0.42) BACE1BACE2CNR2NR1H4
SCHEMBL15830060 0.77 BACE1 (0.48) BACE1BACE2PTGS1PTGS2PIM1
SCHEMBL29953228 0.77 BACE1 (0.43) BACE1BACE2EPHX2PTGS1PTGS2
SCHEMBL16217349 0.74 CNR2 (0.47) EPHX2PIM1MAPK1CNR2
Trifluoroacetic Acid SCHEMBL30279195 0.74 PTGS1 (0.44) EPHX2PTGS1PTGS2CNR2NR1H4
SCHEMBL1343010 0.74 MAPK1 (0.43) BACE1BACE2PTGS1PTGS2PIM1

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-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 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-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 BACE1 1014/4885BACE2 3037/4885EPHX2 3974/4885

“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.