SCHEMBL14768645

SCHEMBL14768645

CCCn1c(=O)cnn(CCCCN2CCN(c3ccccc3OC)CC2)c1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.78
ADRA1D P25100 7/20 0.78
ADRA1A P35348 7/20 0.78
ADRA1B P35368 7/20 0.78
HTR7 P34969 6/20 0.78
ADRA2A P08913 4/20 0.78
ADRA2B P18089 4/20 0.78
ADRA2C P18825 4/20 0.78
DRD4 P21917 4/20 0.78
HRH2 P25021 4/20 0.78
HRH1 P35367 4/20 0.78
HTR2A P28223 3/20 0.78
SIGMAR1 Q99720 3/20 0.78
HTR1D P28221 2/20 0.78
HTR1B P28222 2/20 0.78
HTR2B P41595 2/20 0.78
DRD2 P14416 5/20 0.60
DRD3 P35462 4/20 0.60
HTR5A P47898 3/20 0.60
MEN1 O00255 2/20 0.56

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
SCHEMBL14761349 0.93 HTR1A (0.79) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14761877 0.91 HTR1A (0.76) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14768611 0.91 HTR1A (0.76) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14762083 0.91 HTR1A (0.76) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL8558678 0.88 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL4546508 0.88 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14761527 0.87 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14761697 0.87 DRD4 (0.70) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14761728 0.87 HTR1A (0.98) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL14761871 0.85 HTR7 (0.70) HTR1AADRA1DADRA1AADRA1BHTR7

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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A HTR1A 3/4885ADRA1D 245/4885ADRA1A 207/4885

“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.