SCHEMBL5065166

SCHEMBL5065166

CN(C)C(=O)c1cc(OCc2ccccc2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.53
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 2/20 0.50
ALOX5 P09917 1/20 0.50
PARP10 Q53GL7 1/20 0.48
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
LTA4H P09960 1/20 0.47
PLA2G2A P14555 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.47
EGFR P00533 2/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7907726 0.86 MAOB (0.72) MAOBLTB4RLTB4R2ALOX5MAOA
SCHEMBL5065918 0.85 MAOB (0.56) MAOBLTB4RLTB4R2ALOX5PARP10
SCHEMBL474131 0.84 NR4A2 (0.57) MAOBALOX5PARP10MEN1KMT2A
SCHEMBL4930554 0.83 PARP10 (0.60) MAOBALOX5PARP10MEN1KMT2A
SCHEMBL136203 0.82 ALDH1A1 (0.56) MAOBPARP10LTA4HGAAMAPT
SCHEMBL5377638 0.82 SRD5A2 (0.58) MAOBPARP10MEN1KMT2ANR4A2
SCHEMBL15589445 0.80 MAOB (0.56) MAOBALOX5PARP10MEN1KMT2A
SCHEMBL28134459 0.80 MEN1 (0.62) MAOBMEN1HSP90AA1KMT2AMAPT
SCHEMBL5064967 0.80 BACE1 (0.51) MAOBLTB4RLTB4R2ALOX5MEN1
SCHEMBL15589447 0.80 MAOB (0.51) MAOBALOX5PARP10MEN1KMT2A

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
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP MAOB 3446/4885LTB4R 2095/4885LTB4R2 2242/4885

“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.