Diethylamine

Diethylamine

SCHEMBL2890896

CCCCOc1cc(OCCC)ccc1[N+](=O)[O-].CCNCC

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KMT2A Q03164 5/20 0.51
MAPK1 P28482 4/20 0.51
MEN1 O00255 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RECQL P46063 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
SIRT5 Q9NXA8 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43

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
Diethylamine SCHEMBL2889770 0.83 MAPT (0.60) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL17132355 0.82 MAPT (0.59) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL22048165 0.82 MAPT (0.58) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL1697621 0.82 MAPT (0.67) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL2890893 0.81 MAPT (0.51) MAPTKMT2AMAPK1MEN1RECQL
SCHEMBL26686689 0.79 MAPT (0.66) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL16273773 0.78 MAPT (0.54) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL1339942 0.77 ALDH1A1 (0.57) MAPTKMT2AMAPK1MEN1L3MBTL1
SCHEMBL14874247 0.77 MAPT (0.62) MAPTRECQLAKR1C3AKR1C2AKR1C1
SCHEMBL14401083 0.76 MAPT (0.52) MAPTKMT2AMAPK1MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents TRANSTECH PHARMA, INC. 2010-11-11 US disclosed
US-7776919-B2 Carboxamide derivatives as therapeutic agents TransTech Pharm, Inc. (US) 2010-08-17 US disclosed
US-7423177-B2 Carboxamide derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-09-09 US disclosed
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2008-05-22 US disclosed
EP-1377295-A4 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2007-05-09 EP disclosed
EP-1377295-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2004-01-07 EP disclosed
US-20020193432-A1 Carboxamide derivatives as therapeutic agents VTVX HOLDINGS I LLC 2002-12-19 US disclosed
WO-2002070473-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2002-09-12 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-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents AGER, S100B, S100A4 MAPT 655/4885KMT2A 4158/4885MAPK1 2058/4885
US-20020193432-A1 Carboxamide derivatives as therapeutic agents AGER, S100B, S100A4 MAPT 624/4885KMT2A 4120/4885MAPK1 2061/4885
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents AGER, S100B, S100A4 MAPT 655/4885KMT2A 4158/4885MAPK1 2058/4885

“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.