SCHEMBL30877313

SCHEMBL30877313

CN1CCCC(c2c[nH]c3c(F)cc(F)cc23)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
HTR2A P28223 2/20 0.43
GPR84 Q9NQS5 1/20 0.39
HSD11B1 P28845 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A4 P31645 3/20 0.37
APP P05067 1/20 0.37
DRD2 P14416 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
PRKDC P78527 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
SCHEMBL30877205 0.92 KDM4E (0.52) KDM4EATMGPR84HSD11B1OPRM1
SCHEMBL30877286 0.83 KDM4E (0.54) KDM4EATMHTR2AGPR84OPRM1
SCHEMBL30877196 0.82 KDM4E (0.47) KDM4EATMHTR2AOPRM1OPRK1
SCHEMBL30877197 0.80 SLC6A4 (0.59) KDM4EATMHTR2AHSD11B1OPRM1
SCHEMBL30877261 0.80 KDM4E (0.44) KDM4EATMHTR2AHSD11B1OPRM1
SCHEMBL30877216 0.79 KDM4E (0.52) KDM4EATMHTR2AHSD11B1OPRM1
SCHEMBL30877279 0.77 SLC6A4 (0.61) KDM4EATMHTR2AHSD11B1OPRM1
SCHEMBL30877236 0.75 KDM4E (0.64) KDM4EATMGPR84OPRM1OPRK1
SCHEMBL25290931 0.74 OPRM1 (0.59) KDM4EATMHTR2AOPRM1OPRK1
SCHEMBL30877314 0.74 KDM4E (0.56) KDM4EATMHTR2ASLC6A4APP

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 KDM4E 2193/4885ATM 1956/4885HTR2A 4/4885

“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.