SCHEMBL2680943

SCHEMBL2680943

Cc1c(OCC2CCNCC2)c2ccccc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
CYP2D6 P10635 2/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE9A O76083 3/20 0.42
HTR4 Q13639 1/20 0.41
PDE2A O00408 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40
RAB9A P51151 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL959055 0.85 MAOA (0.43) MAOACYP2D6PDGFRBFGFR1KDR
SCHEMBL936013 0.85 CYP2D6 (0.46) MAOACYP2D6PDGFRBFGFR1KDR
SCHEMBL959586 0.79 PDE2A (0.51) PDGFRBFGFR1KDRPDE2A
SCHEMBL937313 0.78 PDE2A (0.64) MAOAPDGFRBFGFR1KDRSLC6A4
SCHEMBL936130 0.77 PDE2A (0.56) PDGFRBFGFR1KDRPDE2AGABRA1
SCHEMBL7123956 0.73 PARP15 (0.41) SLC6A4PDE2ARAB9A
SCHEMBL13097629 0.72 CYP2D6 (0.80) MAOACYP2D6SLC6A4SLC6A2HTR3A
SCHEMBL3101830 0.68 MAOA (0.51) MAOACYP2D6PDGFRBFGFR1KDR
SCHEMBL6901706 0.68 KDM4E (0.51)
SCHEMBL2680450 0.68 PDE2A (0.60) PDE9APDE2A

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 11 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
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US claimed
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
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 MAOA 131/4885CYP2D6 1811/4885PDGFRB 3157/4885

“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.