Amidate

Amidate

SCHEMBL1098161

CCOC(=O)c1cncn1C(C)c1ccccc1.[H+]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Amidate. 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
GABRA1 known ✓ P14867 7/20 0.97
GABRB2 known ✓ P47870 6/20 0.97
GABRA2 known ✓ P47869 1/20 0.97
CYP11B2 P19099 3/20 0.97
CYP1A2 P05177 2/20 0.97
CYP3A4 P08684 2/20 0.97
CYP11B1 P15538 2/20 0.97
LMNA P02545 2/20 0.97
CYP2C9 P11712 1/20 0.97
CYP2C19 P33261 1/20 0.97
ABCB11 O95342 1/20 0.97
MAPK1 P28482 1/20 0.70
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
GPBAR1 Q8TDU6 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 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
Amidate SCHEMBL39485 0.99 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Etomidate SCHEMBL39487 0.99 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
S-Etomidate SCHEMBL39486 0.99 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL1817757 0.99 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL363786 0.97 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL901536 0.97 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL21773562 0.97 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL22502728 0.97 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL668471 0.97 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL11235297 0.97 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4

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
EP-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 EP disclosed
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 US disclosed
US-20080293665-A1 Purine Nucleotide Derivatives LAURAS AS (NO) 2008-11-27 US disclosed
EP-1765844-A2 PURINE NUCLEOTIDE DERIVATIVES Lauras AS (NO) 2007-03-28 EP disclosed
WO-2005123755-A2 PURINE NUCLEOTIDE DERIVATIVES LAURAS AS (NO) 2005-12-29 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 (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-20080293665-A1 Purine Nucleotide Derivatives CGAS, PDE8A, PDE7A GABRA1 1926/4885GABRB2 2390/4885GABRA2 2153/4885

“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.