SCHEMBL3343371

SCHEMBL3343371

CCc1cc2cnn(CCO)c2cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 3/20 0.39
KMO O15229 7/20 0.39
KCNH2 Q12809 1/20 0.34
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR1D P28221 1/20 0.34
HTR7 P34969 1/20 0.34
HTR4 Q13639 1/20 0.34
P2RX7 Q99572 2/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33

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
SCHEMBL3345161 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BKMOKCNH2
SCHEMBL3345735 0.81 USP7 (0.40) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL30833639 0.72 HTR2A (0.54) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL14320854 0.72 HTR2A (0.54) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL2925874 0.72 CHEK1 (0.50) HTR2AHTR2CHTR2BKMOCHEK1
SCHEMBL3345894 0.72 ACACB (0.37) HTR2AHTR2CKMOHTR7MAPK1
SCHEMBL1744824 0.71 KMO (0.33) HTR2AHTR2CHTR2BKMOP2RX7
SCHEMBL14578727 0.70 KMO (0.47) HTR2AHTR2CHTR2BKMOADRA2A
SCHEMBL31717128 0.70 HTR2A (0.41) HTR2AHTR2CHTR2BKMOKCNH2
SCHEMBL13607684 0.69 KMO (0.68) HTR2AHTR2CHTR2BKMOHTR1A

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 2 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
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.