SCHEMBL2102620

SCHEMBL2102620

COC[C@@H](O)Cn1ncc[c]c1=O

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MAPT P10636 1/20 0.30
ROCK1 Q13464 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL1225411 1.00 HPGD (0.31) HPGDKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL31030379 0.73 MAPK1 (0.42) HPGDKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL2103956 0.72 KDM4E (0.33) HPGDKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL2103998 0.72 KDM4E (0.33) HPGDKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL2099244 0.71 MAPT (0.34) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL1226731 0.70 KMT2A (0.31) KMT2AROCK1
SCHEMBL1226640 0.70 KMT2A (0.31) KMT2AROCK1
SCHEMBL13925692 0.68 HPGD (0.36) HPGDKDM4EKMT2AADORA2AADORA1
SCHEMBL1225356 0.66 KMT2A (0.38) HPGDKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL1225808 0.66 KMT2A (0.38) HPGDKDM4EALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US claimed
EP-2382202-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-02 EP claimed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
EP-2382202-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 HPGD 925/4885KDM4E 2591/4885ALDH1A1 1506/4885

“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.