SCHEMBL4777939

SCHEMBL4777939

CN(c1cc[c]cn1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 4/20 0.37
ADRA2A P08913 4/20 0.37
DRD1 P21728 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
KCNH2 Q12809 4/20 0.37
SLC6A2 P23975 3/20 0.37
HTR2A P28223 3/20 0.37
HRH1 P35367 3/20 0.37
ADRA1A P35348 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL231127 0.82 CYP2D6 (0.57) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL6775520 0.80 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Methane SCHEMBL28533749 0.80 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL4777759 0.75 CHRM5 (0.42) SMN1; SMN2CHRM5KMT2AMEN1NPC1
SCHEMBL30695438 0.75 CYP2D6 (0.50) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL4904986 0.75 CYP2D6 (0.50) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL182698 0.74
SCHEMBL4770280 0.73 KCNA5 (0.40)
SCHEMBL4774563 0.73 POLB (0.54) CYP2D6CYP2C19CHRM2HRH1OPRK1
Water SCHEMBL28870924 0.72 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A CYP2D6 1636/4885CYP2C19 548/4885L3MBTL1 4590/4885

“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.