SCHEMBL15042725

SCHEMBL15042725

Cn1c(=O)cnn(CCCCN2CCN(c3ncccc3[18F])CC2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 16/20 0.71
▸ ADRA1A P35348 12/20 0.64
▸ ADRA1B P35368 12/20 0.64
▸ ADRA1D P25100 11/20 0.64
▸ ADRA2A P08913 5/20 0.58
▸ ADRA2C P18825 5/20 0.58
▸ DRD4 P21917 5/20 0.58
▸ HRH2 P25021 5/20 0.58
▸ HTR7 P34969 5/20 0.58
▸ HRH1 P35367 5/20 0.58
▸ ADRA2B P18089 4/20 0.58
▸ DRD2 P14416 4/20 0.58
▸ HTR1B P28222 3/20 0.58
▸ HTR2B P41595 3/20 0.58
▸ DRD3 P35462 3/20 0.58
▸ HTR5A P47898 3/20 0.58
▸ HTR1D P28221 2/20 0.58
▸ HTR2A P28223 4/20 0.58
▸ SIGMAR1 Q99720 4/20 0.58
▸ ADRB2 P07550 2/20 0.51

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
SCHEMBL15042726 0.89 HTR1A (0.55) HTR1AADRA1AADRA1BADRA1DADRA2A
SCHEMBL12181958 0.84 HTR1A (0.62) HTR1AADRA1AADRA1BADRA1DADRA2A
Eptapirone SCHEMBL678195 0.83 HTR1A (1.00) HTR1AADRA1AADRA1BADRA1DADRA2A
SCHEMBL15042741 0.81 HTR1A (0.75) HTR1AADRA1AADRA1BADRA1DADRA2A
SCHEMBL13532712 0.81 HTR1A (0.95) HTR1AADRA1AADRA1BADRA1DADRA2A
Fumaric Acid SCHEMBL8402876 0.79 HTR1A (0.64) HTR1AADRA1AADRA1BADRA1DADRA2A
Fumaric Acid SCHEMBL8402874 0.79 HTR1A (0.64) HTR1AADRA1AADRA1BADRA1DADRA2A
SCHEMBL14761515 0.79 HTR1A (0.79) HTR1AADRA1AADRA1BADRA1DADRA2A
SCHEMBL13532713 0.79 HTR1A (0.78) HTR1AADRA1AADRA1BADRA1DADRA2A
SCHEMBL15042737 0.78 HTR1A (1.00) HTR1AADRA1AADRA1BADRA1DADRA2A

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-20130156699-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-06-20 — — 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-20130156699-A1 RADIOLABELED COMPOUNDS AND USES THEREOF HTR5A, TAAR5, HTR2C HTR1A 12/4885ADRA1A 311/4885ADRA1B 282/4885

“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.

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