SCHEMBL29206556

SCHEMBL29206556

CCCN(CC)C(=O)C(=O)c1c[nH]c2ccc(F)c(F)c12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.40
▸ HTR1D P28221 5/20 0.39
▸ HTR1B P28222 5/20 0.39
▸ HTR7 P34969 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ MC5R P33032 1/20 0.36
▸ MC3R P41968 1/20 0.36

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
SCHEMBL25748750 0.92 GPR84 (0.44) GPR84HTR1DHTR1BHTR7HTR2A
SCHEMBL25435471 0.84 GPR84 (0.43) GPR84HTR1DHTR1BHTR7HTR2A
SCHEMBL29206559 0.81 SMN1; SMN2 (0.34) MC4RMC5RMC3R
SCHEMBL24243785 0.78 HTR2A (0.50) HTR2A
SCHEMBL25748562 0.78 HTR1A (0.48) HTR7HTR6HTR1A
SCHEMBL30053780 0.78 PRKAB2 (0.38) GPR84HTR6MC4RMC5RMC3R
SCHEMBL25748755 0.77 GPR84 (0.41) GPR84HTR1DHTR1BHTR7HTR2A
SCHEMBL29206558 0.77 HTR2A (0.44) GPR84HTR7HTR2AHTR6HTR1A
SCHEMBL25423216 0.76 GPR84 (0.40) GPR84HTR7HTR2AHTR6HTR1A
SCHEMBL30877217 0.74 GPR84 (0.46) GPR84HTR7HTR2AHTR6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240286998-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME SAINT JOSEPH'S UNIVERSITY 2024-08-29 — — US disclosed
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 — — CN disclosed
EP-4347559-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Saint Joseph's University (US) 2024-04-10 — — EP disclosed
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 — — 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-20240286998-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME TPH2, TPH1, HNMT GPR84 528/4885HTR1D 27/4885HTR1B 12/4885

“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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