SCHEMBL30877252

SCHEMBL30877252

CCCN(CCC)CCc1c[nH]c2c(F)cc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.58
HTR2A P28223 6/20 0.56
MPO P05164 3/20 0.50
HTR1D P28221 5/20 0.49
HTR1A P08908 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1B P28222 2/20 0.43
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL29206496 1.00 GPR84 (0.58) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL24693862 0.94 HTR2A (0.64) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL30877851 0.94 HTR2A (0.64) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL30877281 0.90 MPO (0.62) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL29206426 0.89 GPR84 (0.58) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL31158600 0.89 GPR84 (0.58) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL29206455 0.86 HTR1D (0.60) GPR84HTR2AMPOHTR1DHTR1A
SCHEMBL30877210 0.84 HTR2A (0.64) GPR84HTR2AMPOHTR1ASLC6A4
SCHEMBL24692764 0.84 HTR2A (0.64) GPR84HTR2AMPOHTR1ASLC6A4
SCHEMBL30877256 0.84 HTR1A (0.50) HTR2AHTR1DHTR1ACYP1A2CYP2D6

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 GPR84 528/4885HTR2A 4/4885MPO 1666/4885

“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.