Phenethylamine

Phenethylamine

SCHEMBL4960273

COC(=O)C(C)(C)c1cccc(C(=O)CCC(=O)O)c1.NCCc1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KIF11 P52732 2/20 0.37
ACHE P22303 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL4962335 0.89 NR4A2 (0.47) NR4A2RAB9AALDH1A1HPGDCYP2C19
Phenethylamine SCHEMBL4962587 0.88 RAB9A (0.47) NR4A2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4960277 0.81 MEN1 (0.39) NPC1RAB9AALDH1A1HPGDCASP3
SCHEMBL31121938 0.75 ACHE (0.44) L3MBTL1TDP1ACHE
SCHEMBL24171989 0.75 ACHE (0.44) L3MBTL1TDP1ACHE
SCHEMBL24171986 0.74 ACHE (0.43) L3MBTL1TDP1ACHE
SCHEMBL31121940 0.74 ACHE (0.43) L3MBTL1TDP1ACHE
SCHEMBL24171802 0.74 ACHE (0.43) ALDH1A1TDP1ACHE
SCHEMBL14621794 0.74 ACHE (0.43) NPC1RAB9AL3MBTL1TDP1ACHE
Phenethylamine SCHEMBL6778632 0.74 CYP2C19 (0.44) NPC1RAB9AALDH1A1CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401816-B1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-13 EP disclosed
US-7235665-B2 Process for the production of piperidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
US-20040198983-A1 Process for the production of piperidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-6743941-B2 INCLUDING FEXOFENADINE, USING THE CLAIMED CHEMICAL INTERMEDIATE, P-(2-CARBOXYETHYLCARBONYL)-ALPHA,ALPHA-DIMETHYLPHENYLACETIC ACID, ALKYL ESTER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1401816-A1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE Aventis Pharma Deutschland GmbH (DE) 2004-03-31 EP disclosed
US-20030105329-A1 Process for the production of piperidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-05 US disclosed
WO-2002102776-A1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-27 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 (2 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-20030105329-A1 Process for the production of piperidine derivatives HRH2, HRH1, HRH4 NR4A2 1967/4885NPC1 3730/4885RAB9A 1695/4885
US-20040198983-A1 Process for the production of piperidine derivatives HRH2, HRH1, HRH4 NR4A2 1967/4885NPC1 3730/4885RAB9A 1695/4885

“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.