SCHEMBL5953727

SCHEMBL5953727

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(=O)c(CCN)cc5c4)CC3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.76
ADRA2A P08913 2/20 0.76
DRD2 P14416 2/20 0.76
ADRA2C P18825 2/20 0.76
SLC6A2 P23975 2/20 0.76
ADRA1D P25100 2/20 0.76
SLC6A4 P31645 2/20 0.76
HTR7 P34969 2/20 0.76
ADRA1A P35348 2/20 0.76
ADRA1B P35368 2/20 0.76
SLC6A3 Q01959 2/20 0.76
ADRA2B P18089 1/20 0.76
KCNH2 Q12809 1/20 0.76
ADRB2 P07550 1/20 0.75
DRD4 P21917 1/20 0.75
FPR3 P25089 1/20 0.75
HTR1D P28221 1/20 0.75
HTR1B P28222 1/20 0.75
GPR183 P32249 1/20 0.75
HRH1 P35367 1/20 0.75

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
SCHEMBL1748745 0.94 HTR1A (0.78) HTR1AADRA2ADRD2ADRA2CSLC6A2
SCHEMBL1376455 0.91 HTR1A (0.79) HTR1AADRA2ADRD2ADRA2CSLC6A2
SCHEMBL1748724 0.87 HTR1A (0.76) HTR1AADRA2ADRD2ADRA2CSLC6A2
Vilazodone SCHEMBL29357448 0.87 HTR1A (1.00) HTR1AADRA2ADRD2ADRA2CSLC6A2
Vilazodone SCHEMBL30051446 0.87 HTR1A (1.00) HTR1AADRA2ADRD2ADRA2CSLC6A2
SCHEMBL15942593 0.87 HTR1A (0.88) HTR1AADRA2ADRD2ADRA2CSLC6A2
SCHEMBL2162650 0.87 HTR1A (0.88) HTR1AADRA2ADRD2ADRA2CSLC6A2
Vilazodone SCHEMBL650682 0.87 HTR1A (1.00) HTR1AADRA2ADRD2ADRA2CSLC6A2
Vilazodone SCHEMBL4423647 0.87 HTR1A (1.00) HTR1AADRA2ADRD2ADRA2CSLC6A2
SCHEMBL16089783 0.86 HTR1A (0.77) HTR1AADRA2ADRD2ADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258680-A1 Chromenoneindoles MERCK PATENT GMBH (DE) 2006-11-16 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-20060258680-A1 Chromenoneindoles HTR1A, HTR3A, HTR2B HTR1A 1/4885ADRA2A 35/4885DRD2 40/4885

“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.