SCHEMBL3343069

SCHEMBL3343069

Cc1cc(Cl)c(CN2CCOC2=O)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
NR1I2 O75469 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 1/20 0.37
P2RX7 Q99572 12/20 0.36
NAAA Q02083 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3343073 0.82 P2RX7 (0.41) P2RX7
SCHEMBL3347432 0.79 CYP2A13 (0.49) KDM4EMEN1MAPTHPGDMAPK1
SCHEMBL16335337 0.75 NPC1 (0.39) GRM2P2RX7NAAANPC1RAB9A
SCHEMBL3341058 0.71 NNMT (0.39) KDM4EALDH1A1CYP3A4KMT2A
SCHEMBL3342933 0.71 POLB (0.40) KDM4EALDH1A1KMT2A
SCHEMBL16335719 0.69 P2RX7 (0.49) KCNH2GRM2P2RX7KDM4EMEN1
SCHEMBL3342943 0.68 NNMT (0.37) KDM4EALDH1A1KMT2A
SCHEMBL3341636 0.67 SLC6A4 (0.50) KCNH2KDM4EMEN1ALDH1A1MAPT
SCHEMBL3905576 0.66 BRD4 (0.44) CYP11B2NAAANPC1RAB9AMEN1
SCHEMBL3347587 0.65 SETDB1 (0.40) RAB9AEPHX2MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B2 2515/4885NR1I2 391/4885KCNH2 235/4885

“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.