SCHEMBL101537

SCHEMBL101537

CC(C)(C)OC(=O)CCc1ccc(-c2ccccc2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
FFAR1 O14842 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
PTPRC P08575 2/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL99719 0.93 MTNR1A (0.42) PTPN1MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL98262 0.90 PTPN1 (0.45) PTPN1MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL15823895 0.85 PTPN1 (0.59) PTPN1FFAR1TDP1APP
Hydrochloric Acid SCHEMBL27753206 0.84 PTPN1 (0.58) PTPN1FFAR1TDP1APP
SCHEMBL99915 0.82 MTNR1A (0.42) PTPN1MTNR1AMTNR1BNR1H2NR1H3
Hydrochloric Acid SCHEMBL27782843 0.82 CYP4F2 (0.54) PTPN1TDP1APP
Hydrochloric Acid SCHEMBL27782877 0.81 PTPN1 (0.46) PTPN1FFAR1TDP1APPFFAR4
Hydrochloric Acid SCHEMBL27761108 0.80 TDP1 (0.49) PTPN1TDP1APP
SCHEMBL7591321 0.80 MTNR1A (0.39) MTNR1AMTNR1BNR1H2NR1H3APP
SCHEMBL28809467 0.80 MTNR1A (0.39) PTPN1MTNR1AMTNR1BNR1H2

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 4 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
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN 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 PTPN1 2109/4885MTNR1A 430/4885MTNR1B 272/4885

“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.