SCHEMBL14768598

SCHEMBL14768598

Cc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.78
ADRA1A P35348 12/20 0.78
ADRA1B P35368 12/20 0.78
ADRA1D P25100 11/20 0.78
HTR7 P34969 6/20 0.78
ADRA2A P08913 5/20 0.78
ADRA2C P18825 5/20 0.78
DRD4 P21917 5/20 0.78
HRH2 P25021 5/20 0.78
HRH1 P35367 5/20 0.78
HTR2A P28223 5/20 0.78
DRD2 P14416 5/20 0.78
SIGMAR1 Q99720 4/20 0.78
ADRA2B P18089 4/20 0.78
DRD3 P35462 3/20 0.78
HTR5A P47898 3/20 0.78
HTR6 P50406 3/20 0.78
ADRB2 P07550 2/20 0.78
ADRB1 P08588 2/20 0.78
DRD1 P21728 2/20 0.78

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
SCHEMBL4546517 0.89 HTR1A (0.77) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL4546509 0.88 HTR1A (1.00) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL16510265 0.88 HTR1A (0.74) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL4546507 0.83 HTR1A (0.77) HTR1AADRA1AADRA1BADRA1DHTR7
Fumaric Acid SCHEMBL8558915 0.82 HTR1A (0.87) HTR1AADRA1AADRA1BADRA1DHTR7
Fumaric Acid SCHEMBL8553731 0.82 HTR1A (0.87) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL12182133 0.81 HTR1A (0.78) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL12182153 0.79 HTR1A (0.78) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL15042722 0.79 HTR1A (0.80) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL8406618 0.79 HTR1A (0.70) HTR1AADRA1AADRA1BADRA1DHTR7

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 3/4885ADRA1A 207/4885ADRA1B 191/4885

“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.