SCHEMBL6867511

SCHEMBL6867511

CCOC(=O)c1cc(Br)cn1[C@H](C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.60
GABRB2 P47870 6/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP11B1 P15538 2/20 0.60
CYP11B2 P19099 2/20 0.60
LMNA P02545 2/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ABCB11 O95342 1/20 0.60
GABRA2 P47869 1/20 0.60
ELANE P08246 1/20 0.44
MAPK1 P28482 1/20 0.41
CYP19A1 P11511 1/20 0.41
TP53 P04637 1/20 0.41
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 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
SCHEMBL5120329 0.85 GABRA1 (0.60) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL14803828 0.85 GABRA1 (0.45) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL6867476 0.81 GABRA1 (0.57) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL6868305 0.79 GABRA1 (0.66) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL22502728 0.77 GABRA1 (0.97) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL14818825 0.76 GABRA1 (0.56) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Etomidate SCHEMBL39487 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL39485 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
S-Etomidate SCHEMBL39486 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL1817757 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187421-B2 Etomidate analogues that do not inhibit adrenocortical steroid synthesis THE GENERAL HOSPITAL CORPORATION (US) 2015-11-17 US disclosed
US-20150011603-A1 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS THE GENERAL HOSPITAL CORPORATION (US) 2015-01-08 US disclosed
EP-2451779-B1 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS GEN HOSPITAL CORP (US) 2014-09-03 EP disclosed
US-8765973-B2 Etomidate analogues that do not inhibit adrenocortical steroid synthesis THE GENERAL HOSPITAL CORPORATION (US) 2014-07-01 US disclosed
US-20130079381-A1 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS NIH - DEITR 2013-03-28 US disclosed
WO-2011005969-A2 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS THE GENERAL HOSPITAL CORPORATION (US) 2011-01-13 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-20150011603-A1 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS OPRL1, NR3C2, NR3C1 GABRA1 824/4885GABRB2 845/4885CYP1A2 25/4885
US-20130079381-A1 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS OPRL1, NR3C2, NR3C1 GABRA1 824/4885GABRB2 845/4885CYP1A2 25/4885

“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.