SCHEMBL99719

SCHEMBL99719

CC(C)(C)OC(=O)CCCc1ccc(-c2ccccc2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MGLL Q99685 2/20 0.40
NR1H2 P55055 3/20 0.39
PTPN1 P18031 3/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
KMT2A Q03164 2/20 0.37
NR1H3 Q13133 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL101537 0.93 PTPN1 (0.45) MTNR1AMTNR1BNR1H2PTPN1TDP1
SCHEMBL99915 0.90 MTNR1A (0.42) MTNR1AMTNR1BMGLLNR1H2PTPN1
SCHEMBL15823568 0.84 ALOX5 (0.51) MGLLPTPN1CYP1A2TDP1KMT2A
SCHEMBL98262 0.82 PTPN1 (0.45) MTNR1AMTNR1BNR1H2PTPN1PLA2G10
SCHEMBL98234 0.82 CYP1A2 (0.56) PLA2G10PLA2G2ACYP1A2
SCHEMBL16753928 0.80 HDAC8 (0.37) MTNR1AMTNR1BNR1H2TDP1NR1H3
SCHEMBL10578604 0.78 HDAC1 (0.56) ADRB2ADRB1ADRB3TDP1KMT2A
SCHEMBL15823895 0.78 PTPN1 (0.59) PTPN1TDP1LMNA
SCHEMBL101148 0.78 MAPT (0.54) PLA2G10PLA2G2ACYP1A2
SCHEMBL28809467 0.78 MTNR1A (0.39) MTNR1AMTNR1BNR1H2PTPN1KMT2A

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 272/4885MGLL 3082/4885

“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.