Phenethylamine

Phenethylamine

SCHEMBL1663279

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ TMPRSS15 P98073 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 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
Phenethylamine SCHEMBL1661930 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2PRSS1TMPRSS15
Arginine SCHEMBL1661915 0.93 LTA4H (0.40) NPC1RAB9ASMN1; SMN2PRSS1TMPRSS15
Arginine SCHEMBL1661921 0.93 LTA4H (0.40) NPC1RAB9ASMN1; SMN2PRSS1TMPRSS15
Arginine SCHEMBL1661333 0.93 LTA4H (0.40) NPC1RAB9ASMN1; SMN2PRSS1TMPRSS15
Arginine SCHEMBL1661006 0.93 LTA4H (0.40) NPC1RAB9ASMN1; SMN2PRSS1TMPRSS15
Phenethylamine SCHEMBL13518366 0.89 ITGB3 (0.39) NPC1RAB9APRSS1TMPRSS15TAAR1
Phenethylamine SCHEMBL13518822 0.89 FFAR1 (0.42) PRSS1TMPRSS15TAAR1
Phenethylamine SCHEMBL13518878 0.89 FFAR1 (0.42) PRSS1TMPRSS15TAAR1
Phenethylamine SCHEMBL13518864 0.89 ITGB3 (0.39) NPC1RAB9APRSS1TMPRSS15TAAR1
Arginine SCHEMBL13518858 0.85 LTA4H (0.41) PRSS1TMPRSS15LTA4H

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 16 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
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 — — US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 — — US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 — — EP disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 — — EP disclosed
EP-2702167-B1 METHODS OF DIAGNOSIS AND PROGNOSIS OF MULTIPLE MYELOMA, BY MEASURING GADD45BETA EXPRESSION IMP INNOVATIONS LTD (GB) 2016-12-28 — — EP disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 — — US 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-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 — — US disclosed
US-8993717-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-31 — — US disclosed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 — — US disclosed
EP-2702167-A2 METHOD OF DIAGNOSIS AND PROGNOSIS Imperial Innovations Limited (GB) 2014-03-05 — — EP disclosed
WO-2012146940-A2 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 — — WO disclosed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 — — US disclosed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 — — EP disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 — — WO 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 (3 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 NPC1 4297/4885RAB9A 2999/4885SMN1; SMN2 2861/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 NPC1 4367/4885RAB9A 4178/4885SMN1; SMN2 3003/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 NPC1 4367/4885RAB9A 4178/4885SMN1; SMN2 3003/4885

“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.

Send feedback