SCHEMBL3343161

SCHEMBL3343161

Cc1cc(Cl)c(OCCO)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
NPC1 O15118 2/20 0.39
DHFR P00374 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.36
P2RX7 Q99572 2/20 0.35
CD44 P16070 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL11794328 0.93 CD44 (0.39) MAOANPC1DHFRALDH1A1MEN1
SCHEMBL3341078 0.92 MAOA (0.43) MAOANPC1DHFRALDH1A1MEN1
SCHEMBL13254932 0.86 NPC1 (0.43) MAOANPC1ALDH1A1KMT2APOLB
SCHEMBL11705870 0.85 DHFR (0.40) MAOANPC1DHFRALDH1A1MEN1
SCHEMBL12901934 0.84 CSNK2A1 (0.50) MAOANPC1DHFRALDH1A1MEN1
SCHEMBL3342982 0.84 TSHR (0.43) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL3342137 0.83 MAOA (0.38) MAOANPC1DHFRALDH1A1LMNA
SCHEMBL22359422 0.83 L3MBTL1 (0.49) MAOANPC1DHFRALDH1A1MEN1
SCHEMBL455549 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL11706798 0.80 TSHR (0.43) ALDH1A1MEN1KMT2AMAPK1POLB

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 11 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-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (3 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 MAOA 3456/4885NPC1 1583/4885DHFR 674/4885
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 MAOA 3054/4885NPC1 2427/4885DHFR 616/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 MAOA 3999/4885NPC1 2814/4885DHFR 1205/4885

“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.