SCHEMBL3385122

SCHEMBL3385122

CCOC(=O)c1coc(CCl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FBP1 P09467 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL9714181 0.87 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL855444 0.85 CYP1A2 (0.50) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL2070116 0.84 CYP1A2 (0.49) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL393999 0.83 DAGLA (0.42) FBP1
SCHEMBL27603649 0.81 CYP1A2 (0.46) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL15932112 0.81 CYP1A2 (0.46) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL2113445 0.81 CYP1A2 (0.46) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL31434686 0.80 CYP1A2 (0.45) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL369268 0.80 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTKMT2A
SCHEMBL2070169 0.80 CYP1A2 (0.55) CYP1A2NLRP3ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771432-B1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-08 EP disclosed
EP-1771432-B1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-08 EP disclosed
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-25 US disclosed
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-25 US disclosed
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-25 US disclosed
US-7429659-B2 Furan compounds as histamine H3 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-30 US disclosed
US-7429659-B2 Furan compounds as histamine H3 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-30 US disclosed
EP-1771432-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-11 EP disclosed
WO-2005096734-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
WO-2005096734-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
US-20050222129-A1 Non-imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 US disclosed
WO-2000053589-A1 PROCESS FOR PREPARING OXAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-14 WO 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 (2 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-20050222129-A1 Non-imidazole heterocyclic compounds HRH3, HRH4, HRH2 CYP1A2 1951/4885NLRP3 661/4885ALDH1A1 2417/4885
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 CYP1A2 1951/4885NLRP3 661/4885ALDH1A1 2417/4885

“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.