SCHEMBL18539765

SCHEMBL18539765

Cc1ccc(O)c(CN(C[C@H](C)O)C(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HPGD P15428 3/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 5/20 0.49
GFER P55789 1/20 0.41
RAB9A P51151 2/20 0.40
KCNA5 P22460 1/20 0.33
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
NPC1 O15118 1/20 0.32
NOS2 P35228 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
METAP2 P50579 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18550512 0.83 KDM4E (0.54) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL19762005 0.79 ALDH1A1 (0.56) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL17937016 0.73 KDM4E (0.43) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL11403516 0.73 KDM4E (0.62) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL20061883 0.72 KDM4E (0.43) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL19764239 0.70 KDM4E (0.53) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL17935315 0.69 KDM4E (0.56) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL21074873 0.69 KDM4E (0.56) KDM4EHPGDUSP2HSD17B10ALDH1A1
Emoxypine SCHEMBL29362452 0.68 KDM4E (0.72) KDM4EHPGDUSP2HSD17B10ALDH1A1
Emoxypine SCHEMBL195347 0.68 KDM4E (0.72) KDM4EHPGDUSP2HSD17B10ALDH1A1

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-10221202-B2 Annelated phenoxyacetamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 US disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 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 (4 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-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC KDM4E 1618/4885HPGD 1680/4885USP2 2669/4885
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, HRH4 KDM4E 4220/4885HPGD 2958/4885USP2 3671/4885
US-10221202-B2 Annelated phenoxyacetamides EP300, NAT1, REN KDM4E 1513/4885HPGD 2239/4885USP2 3265/4885
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC KDM4E 1567/4885HPGD 2350/4885USP2 2825/4885

“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.