SCHEMBL30877218

SCHEMBL30877218

CN(C)CC(=O)c1c[nH]c2c(F)cc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ LMNA P02545 4/20 0.48
▸ GPR84 Q9NQS5 1/20 0.46
▸ ACKR3 P25106 1/20 0.35
▸ RAB9A P51151 2/20 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
▸ PCSK9 Q8NBP7 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ APOL1 O14791 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MET P08581 1/20 0.33
▸ AR P10275 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL30877214 0.80 ALDH1A1 (0.49) ALDH1A1LMNAGPR84RAB9AKMT2A
SCHEMBL31077708 0.78 ALDH1A1 (0.49) ALDH1A1LMNAGPR84KMT2APCSK9
SCHEMBL25748906 0.78 ALDH1A1 (0.49) ALDH1A1LMNAGPR84KMT2APCSK9
SCHEMBL2576855 0.78 ALDH1A1 (0.54) ALDH1A1LMNAGPR84KMT2AMEN1
SCHEMBL29206360 0.77 ALDH1A1 (0.40) ALDH1A1LMNARAB9AKMT2AMEN1
SCHEMBL30877199 0.77 ALDH1A1 (0.58) ALDH1A1LMNAGPR84RAB9AKMT2A
SCHEMBL30877233 0.77 HTR1A (0.44) ALDH1A1LMNAACKR3RAB9AKMT2A
SCHEMBL30877820 0.77 ALDH1A1 (0.45) ALDH1A1LMNAGPR84KMT2AAPOL1
SCHEMBL29206539 0.77 ALDH1A1 (0.45) ALDH1A1LMNAGPR84KMT2AAPOL1
SCHEMBL30877316 0.77 ALDH1A1 (0.50) ALDH1A1LMNAGPR84RAB9AKMT2A

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 ALDH1A1 2468/4885LMNA 1424/4885GPR84 528/4885

“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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