SCHEMBL3900928

SCHEMBL3900928

c1ccc2c(c1)CCCc1cccnc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.53
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
DRD4 P21917 1/20 0.50
CYP19A1 P11511 3/20 0.49
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
CYP2A6 P11509 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28722279 0.96 TSHR (0.52) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL730635 0.92 HRH1 (0.58) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL31317931 0.92 HRH1 (0.58) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL4912110 0.85 TSHR (0.43) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL30724388 0.79 CHRM2 (0.41) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL69894 0.79 MEN1 (0.47) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL30322896 0.79 MEN1 (0.47) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL9541706 0.79 L3MBTL1 (0.45) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL9542103 0.78 PARP10 (0.41) NPY5RCHRM2HTR1ACHRM1DRD2
SCHEMBL23143476 0.77 DRD4 (0.47) NPY5RDRD4CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400514-B1 METAL COORDINATION COMPOUND AND ELECTROLUMINESCENCE DEVICE CANON KK (JP) 2009-02-11 EP disclosed
US-7078115-B2 Metal coordination compound and electroluminescence device CANON KABUSHIKI KAISHA (JP) 2006-07-18 US disclosed
US-20050085654-A1 Metal coordination compound and electroluminescence device CANON KABUSHIKI KAISHA (JP) 2005-04-21 US disclosed
US-6824894-B2 RETAINS HIGH LUMINANCE OR BRIGHTNESS FOR A LONG PERIOD AND EXHIBITING A STABILITY CANON KABUSHIKI KAISHA (JP) 2004-11-30 US disclosed
EP-1400514-A1 METAL COORDINATION COMPOUND AND ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2004-03-24 EP disclosed
US-20030235712-A1 Metal coordination compound and electroluminescence device CANON KABUSHIKI KAISHA (JP) 2003-12-25 US disclosed
EP-0623125-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP disclosed
WO-1993014080-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-22 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-20050085654-A1 Metal coordination compound and electroluminescence device MCOLN1, L1CAM, AP1M1 NPY5R 3749/4885CHRM2 121/4885HTR1A 1660/4885

“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.