SCHEMBL2103703

SCHEMBL2103703

Cc1c[c]nn1CC(=O)NCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.40
P2RX7 Q99572 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.37
DNM1 Q05193 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LGALS1 P09382 1/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ACKR3 P25106 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
SCHEMBL6015849 0.75 KDM4E (0.49) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL2103730 0.72 LMNA (0.50) KDM4EMAPK1ALDH1A1LMNAMAPT
SCHEMBL6015745 0.69 KDM4E (0.46) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL1557765 0.67 KDM4E (0.41) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL31459289 0.65 ALDH1A1 (0.45) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL23804823 0.65 ZDHHC20 (0.37) MAPK1ALDH1A1
Water SCHEMBL9877241 0.64 LMNA (0.51) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL5245235 0.64 DNM1 (0.53) KDM4EMAPK1ALDH1A1NPSR1DNM1
SCHEMBL13584322 0.63 DNM1 (0.57) USP2MAPK1ALDH1A1NPSR1CYP2D6
SCHEMBL31537579 0.63 ALDH1A1 (0.47) KDM4EUSP2MAPK1ALDH1A1LMNA

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 8 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
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
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
US-20100160384-A1 DIHYDROPYRIDONE AMIDES 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 KDM4E 2591/4885USP2 4832/4885MAPK1 1660/4885

“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.