Phenethylamine

Phenethylamine

SCHEMBL4962587

COC(=O)C(C)(C)c1ccc(C(=O)CCC(=O)O)cc1.NCCc1ccccc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR4A2 P43354 1/20 0.43
CYP1A2 P05177 2/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2C19 P33261 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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 SCHEMBL4960273 0.88 NR4A2 (0.40) RAB9ANPC1L3MBTL1NR4A2CYP1A2
SCHEMBL4960271 0.86 KMT2A (0.53) RAB9ANPC1L3MBTL1NR4A2CYP1A2
SCHEMBL27518661 0.81 USP5 (0.47) RAB9ANPC1L3MBTL1NR4A2CYP1A2
Phenethylamine SCHEMBL6778632 0.81 CYP2C19 (0.44) RAB9ANPC1CYP1A2FFAR1SMN1; SMN2
SCHEMBL4962692 0.80 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL23583035 0.77 NR1H4 (0.54) L3MBTL1FFAR1LMNAALDH1A1NR1H4
SCHEMBL9765140 0.76 L3MBTL1 (0.69) RAB9ANPC1L3MBTL1NR4A2CYP1A2
SCHEMBL15522680 0.76 BRS3 (0.51) RAB9ANPC1ALDH1A1POLBMAPT
Phenethylamine SCHEMBL27518659 0.75 RAB9A (0.48) RAB9ANPC1L3MBTL1NR4A2CYP1A2
Hydrochloric Acid SCHEMBL10463257 0.75 L3MBTL1 (0.67) RAB9ANPC1L3MBTL1NR4A2CYP1A2

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 9 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
CN-1229347-C Process for preparing piperidine derivative fexofenadine AVENTIS PHARMA GMBH (DE) 2005-11-30 CN disclosed
US-20040198983-A1 Process for the production of piperidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
CN-1516689-A Process for production of piperidine derivative fexofenadine ������ҽҩ�¹����޹�˾ 2004-07-28 CN 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 RAB9A 1695/4885NPC1 3730/4885L3MBTL1 4881/4885
US-20040198983-A1 Process for the production of piperidine derivatives HRH2, HRH1, HRH4 RAB9A 1695/4885NPC1 3730/4885L3MBTL1 4881/4885

“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.