SCHEMBL30877233

SCHEMBL30877233

CN(C)CC(=O)c1c[nH]c2cc(F)cc(F)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ MET P08581 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GPR17 Q13304 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAG3 Q9UGI9 2/20 0.33
▸ PRKAG2 Q9UGJ0 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30877213 0.80 HTR2A (0.52) HTR1AALDH1A1HTR2AHTR2CHTR2B
SCHEMBL25748764 0.78 HTR1A (0.39) HTR1AALDH1A1LMNAGPR17KMT2A
SCHEMBL30877217 0.77 GPR84 (0.46) HTR1AALDH1A1METLMNARAB9A
SCHEMBL30877218 0.77 ALDH1A1 (0.48) ALDH1A1METLMNARAB9AKMT2A
SCHEMBL30877215 0.77 ALDH1A1 (0.48) HTR1AALDH1A1LMNARAB9AKMT2A
SCHEMBL25423247 0.77 HTR1A (0.39) HTR1AALDH1A1GPR17KMT2APRKAB2
SCHEMBL30877316 0.77 ALDH1A1 (0.50) HTR1AALDH1A1LMNARAB9AKMT2A
SCHEMBL13325448 0.76 CES2 (0.38) HTR1AALDH1A1LMNAGPR17PRKAB2
SCHEMBL16597407 0.74 GABRA1 (0.47) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL30877199 0.74 ALDH1A1 (0.58) ALDH1A1LMNARAB9AKMT2AMEN1

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 HTR1A 9/4885ALDH1A1 2468/4885MET 2088/4885

“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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