SCHEMBL936013

SCHEMBL936013

CC(C)c1c(OCC2CCNCC2)c2ccccc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAOA P21397 1/20 0.43
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
PDE9A O76083 3/20 0.40
HTR4 Q13639 1/20 0.40
PDE2A O00408 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SYK P43405 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL2680943 0.85 MAOA (0.50) CYP2D6SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL959055 0.83 MAOA (0.43) CYP2D6SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL959586 0.77 PDE2A (0.51) PDGFRBFGFR1KDRPDE2ASYK
SCHEMBL937313 0.77 PDE2A (0.64) SLC6A4SLC6A2HTR3AKCNH2MAOA
SCHEMBL936130 0.75 PDE2A (0.56) PDGFRBFGFR1KDRPDE2ASYK
SCHEMBL7114952 0.74 PARP15 (0.40) CYP2D6SLC6A4PDE2A
SCHEMBL7121233 0.74 SIRT1 (0.42) CYP2D6SLC6A4PDE2A
SCHEMBL7118669 0.74 KDM4C (0.47) CYP2D6PDE9APDE2ATLR9TLR8
SCHEMBL10647076 0.67 DAO (0.59)
SCHEMBL7115553 0.67 PARP15 (0.37) SLC6A4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP claimed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US claimed
EP-2456440-A1 QUINOLINONE PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-05-30 EP claimed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US claimed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 WO claimed
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A CYP2D6 1811/4885SLC6A4 630/4885SLC6A2 83/4885

“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.