SCHEMBL99823

SCHEMBL99823

CC(C)(C)OC(=O)CC=Cc1ccc(-c2ccccc2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
KCNA3 P22001 5/20 0.39
NR1H2 P55055 1/20 0.38
BACE1 P56817 1/20 0.36
PAM P19021 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRC P08575 2/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
GRIK3 Q13003 1/20 0.35
MAPT P10636 1/20 0.35
GRM6 O15303 1/20 0.34

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
SCHEMBL99821 1.00 MTNR1A (0.41) MTNR1AMTNR1BCYP4F2CYP4A11KCNA3
SCHEMBL101029 0.83 NR1H4 (0.44) NR1H2BACE1SMN1; SMN2MAPT
SCHEMBL101030 0.83 NR1H4 (0.44) NR1H2BACE1SMN1; SMN2MAPT
SCHEMBL16868418 0.82 PAM (0.56) KCNA3BACE1PAMGRIK1GRIK2
SCHEMBL16868417 0.82 PAM (0.56) KCNA3BACE1PAMGRIK1GRIK2
SCHEMBL28466214 0.79 PAM (0.58) CYP4F2CYP4A11PAM
SCHEMBL99876 0.78 TDP1 (0.43) KCNA3SMN1; SMN2
SCHEMBL99877 0.78 TDP1 (0.43) KCNA3SMN1; SMN2
SCHEMBL14472705 0.76 CYP4F2 (0.46) CYP4F2CYP4A11NR1H2PAMSMN1; SMN2
SCHEMBL28797524 0.76 CYP4F2 (0.46) CYP4F2CYP4A11NR1H2PAMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 MTNR1A 430/4885MTNR1B 272/4885CYP4F2 1379/4885

“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.