SCHEMBL3344836

SCHEMBL3344836

Cc1cc(F)c(N)cc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
LOX P28300 1/20 0.37
AOC3 Q16853 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IKBKB O14920 1/20 0.32
ESR1 P03372 1/20 0.32
TSHR P16473 1/20 0.32
DHPS P49366 1/20 0.32
RARB P10826 1/20 0.32
DCK P27707 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 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
SCHEMBL3345263 0.86 ALOX5AP (0.38) ALOX5APFEN1LOXAOC3SLC6A2
SCHEMBL26633349 0.84 MAPT (0.46) HTR2CHTR2BESR1TSHRKMT2A
SCHEMBL3342982 0.84 TSHR (0.43) LOXAOC3IKBKBTSHRRARB
SCHEMBL89783 0.81 KDM4E (0.34) MRGPRX4SLC6A4TSHRKMT2AKDM4E
SCHEMBL11706798 0.80 TSHR (0.43) LOXAOC3IKBKBTSHRRARB
SCHEMBL12000686 0.80 LOX (0.40) LOXAOC3IKBKBTSHRRARB
SCHEMBL13254932 0.79 NPC1 (0.43) LOXAOC3TSHRKMT2AALDH1A1
SCHEMBL3347814 0.79 LOX (0.37) LOXAOC3SLC6A4IKBKBTSHR
SCHEMBL13324328 0.79 LOX (0.42) LOXAOC3HTR2CHTR2BTSHR
SCHEMBL10440381 0.79 NCF1 (0.37) MRGPRX4ESR1RARBKMT2AKDM4E

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 ALOX5AP 3609/4885FEN1 4788/4885LOX 4642/4885

“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.