Phenethylamine

Phenethylamine

SCHEMBL13518366

N=C(N)NCCC[C@H](N)C(=O)Oc1ccc(CC(=O)O)cc1.NCCc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ TMPRSS15 P98073 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ LTB4R Q15722 2/20 0.36
▸ LTB4R2 Q9NPC1 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35

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
Phenethylamine SCHEMBL13518864 1.00 ITGB3 (0.39) ITGB3ITGA2BTAAR1GAALTA4H
Arginine SCHEMBL13518734 0.94 LTA4H (0.40) ITGB3ITGA2BTAAR1LTA4HPRSS1
Arginine SCHEMBL13518792 0.94 LTA4H (0.40) ITGB3ITGA2BTAAR1LTA4HPRSS1
Arginine SCHEMBL13519205 0.94 LTA4H (0.40) ITGB3ITGA2BTAAR1LTA4HPRSS1
Arginine SCHEMBL13518702 0.94 LTA4H (0.40) ITGB3ITGA2BTAAR1LTA4HPRSS1
Phenethylamine SCHEMBL13518878 0.92 FFAR1 (0.42) ITGB3ITGA2BTAAR1PRSS1TMPRSS15
Phenethylamine SCHEMBL13518822 0.92 FFAR1 (0.42) ITGB3ITGA2BTAAR1PRSS1TMPRSS15
Phenethylamine SCHEMBL1661930 0.89 NPC1 (0.39) TAAR1GAALTA4HPRSS1TMPRSS15
Phenethylamine SCHEMBL1663279 0.89 NPC1 (0.39) TAAR1GAALTA4HPRSS1TMPRSS15
Arginine SCHEMBL13518780 0.88 LTA4H (0.41) ITGB3ITGA2BLTA4HPRSS1TMPRSS15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 — — US claimed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 — — EP disclosed
WO-2016024131-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL INNOVATIONS LIMITED (GB) 2016-02-18 — — WO disclosed
US-8993717-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-31 — — US disclosed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 — — US 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-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 ITGB3 4321/4885ITGA2B 4226/4885TAAR1 3263/4885

“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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