SCHEMBL3345161

SCHEMBL3345161

Cc1cc2cnn(CCO)c2cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 3/20 0.41
KMO O15229 5/20 0.40
P2RX7 Q99572 2/20 0.39
ATAD2 Q6PL18 1/20 0.38
TERT O14746 1/20 0.37
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR4 Q13639 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 1/20 0.33
KIT P10721 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 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
SCHEMBL31717403 0.82 TERT (0.40) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL3343371 0.82 HTR2A (0.39) HTR2AHTR2CHTR2BKMOP2RX7
SCHEMBL31717232 0.82 MAOB (0.42) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL31717647 0.81 HTR2A (0.38) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL21603505 0.80 ATAD2 (0.44) ATAD2TERTCYP1A2
SCHEMBL31716445 0.77 HTR2A (0.36) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL31716780 0.77 HTR2A (0.36) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL31716783 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL3346151 0.76 RAB9A (0.39) KMOKDM4E
SCHEMBL3341783 0.76 GRIN2B (0.42) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HTR2A 193/4885HTR2C 354/4885HTR2B 157/4885

“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.