SCHEMBL3384965

SCHEMBL3384965

CCOC(=O)c1coc(CNCCOC)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
NLRP3 Q96P20 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 4/20 0.40
PTGER4 P35408 2/20 0.38
FBP1 P09467 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TTK P33981 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL3385094 0.84 HRH3 (0.61) HRH3ALDH1A1HPGDMAPK1KDM4E
SCHEMBL12850366 0.79 DAGLA (0.47) CYP1A2ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9714181 0.77 CYP1A2 (0.51) NLRP3CYP1A2ALDH1A1FBP1SMN1; SMN2
SCHEMBL855444 0.76 CYP1A2 (0.50) NLRP3CYP1A2ALDH1A1FBP1SMN1; SMN2
SCHEMBL2070116 0.75 CYP1A2 (0.49) NLRP3CYP1A2ALDH1A1FBP1SMN1; SMN2
SCHEMBL3385122 0.75 CYP1A2 (0.49) NLRP3CYP1A2ALDH1A1FBP1SMN1; SMN2
SCHEMBL2113445 0.72 CYP1A2 (0.46) NLRP3CYP1A2ALDH1A1FBP1GAA
SCHEMBL15932112 0.72 CYP1A2 (0.46) NLRP3CYP1A2ALDH1A1FBP1SMN1; SMN2
SCHEMBL27603649 0.72 CYP1A2 (0.46) NLRP3CYP1A2ALDH1A1FBP1SMN1; SMN2
SCHEMBL3383089 0.72 HRH3 (1.00) HRH3

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
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-7429659-B2 Furan compounds as histamine H3 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-30 US disclosed
US-20050222129-A1 Non-imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 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 (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 HRH3 1/4885NLRP3 661/4885CYP1A2 1951/4885
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885NLRP3 661/4885CYP1A2 1951/4885

“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.