SCHEMBL30877213

SCHEMBL30877213

CN(C)CC(=O)c1c[nH]c2cccc(F)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.52
▸ HTR2C P28335 5/20 0.52
▸ HTR2B P41595 5/20 0.52
▸ FFAR1 O14842 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ ALB P02768 1/20 0.40
▸ IL2 P60568 1/20 0.40
▸ HTR1F P30939 1/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL10203636 0.84 GPR84 (0.50) HTR2AHTR2CHTR2BFFAR1GPR84
SCHEMBL30877217 0.83 GPR84 (0.46) HTR2AHTR2CHTR2BGPR84HTR1A
SCHEMBL30877233 0.80 HTR1A (0.44) HTR2AHTR2CHTR2BHTR1AALDH1A1
SCHEMBL16234666 0.79 PBRM1 (0.54) HTR2AHTR2CHTR2BFFAR1GPR84
SCHEMBL25678359 0.78 HTR2A (0.47) HTR2AHTR2CHTR2BFFAR1GPR84
SCHEMBL29206558 0.78 HTR2A (0.44) HTR2AHTR2CHTR2BFFAR1GPR84
SCHEMBL28715750 0.77 GPR84 (0.46) HTR2AHTR2CHTR2BFFAR1GPR84
SCHEMBL30877214 0.77 ALDH1A1 (0.49) GPR84SLC6A4NR4A2ALDH1A1
SCHEMBL16135241 0.77 HTR2A (0.46) HTR2AHTR2CHTR2BFFAR1GPR84
SCHEMBL2034897 0.77 GPR84 (0.51) HTR2AHTR2CHTR2BFFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 — — CN claimed
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

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 HTR2A 4/4885HTR2C 11/4885HTR2B 13/4885

“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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