SCHEMBL3345263

SCHEMBL3345263

Cc1cc(F)c(OCCO)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 5/20 0.33
DCK P27707 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33
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

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
SCHEMBL3344836 0.86 ALOX5AP (0.38) ALOX5APFEN1TSHRALDH1A1DCK
SCHEMBL3342982 0.84 TSHR (0.43) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL11706798 0.80 TSHR (0.43) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29353325 0.80 ALDH1A1 (0.41) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL455549 0.80 ALDH1A1 (0.41) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL13213371 0.79 SMN1; SMN2 (0.35) ALOX5APFEN1TSHRP2RX7ALDH1A1
SCHEMBL3343161 0.79 MAOA (0.40) CYP3A4TSHRMAPK1P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL10361244 0.79 ALDH1A1 (0.40) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3333887 0.79 ALDH1A1 (0.40) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL3345257 0.78 NNMT (0.39) CYP3A4P2RX7ALDH1A1HTR2BIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US 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 (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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 ALOX5AP 3609/4885FEN1 4788/4885CYP3A4 1966/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ALOX5AP 2758/4885FEN1 4817/4885CYP3A4 1792/4885

“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.