SCHEMBL3333232

SCHEMBL3333232

NCCCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.53
SCN2A Q99250 3/20 0.53
SCN3A Q9NY46 3/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 3/20 0.53
HTR2A P28223 2/20 0.53
HRH1 P35367 2/20 0.53
LMNA P02545 2/20 0.53
KCNH2 Q12809 2/20 0.53
HRH4 Q9H3N8 2/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
THPO P40225 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53

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
SCHEMBL7288351 0.87 SCN1A (0.57) SCN1ASCN2ASCN3ASLC6A2SLC6A4
SCHEMBL4670218 0.87 SCN1A (0.61) SCN1ASCN2ASCN3ASLC6A2SLC6A4
SCHEMBL4669231 0.87 SLC6A2 (0.61) SCN1ASCN2ASCN3ASLC6A2SLC6A4
SCHEMBL16767874 0.83 HRH1 (0.52) SLC6A4SLC6A3HTR2AHRH1CYP1A2
SCHEMBL4667564 0.82 SCN1A (0.65) SCN1ASCN2ASCN3ASLC6A2SLC6A4
Bromomethane SCHEMBL5569429 0.82 SLC6A2 (0.56) SCN1ASCN2ASCN3ASLC6A2SLC6A4
SCHEMBL7978015 0.81 SIGMAR1 (0.67) SCN1ASCN2ASCN3ASLC6A2SLC6A4
SCHEMBL891208 0.80 HRH1 (0.48) SLC6A4SLC6A3HTR2AHRH1CYP1A2
SCHEMBL7263992 0.80 CHRNB2 (0.51) HTR2AHRH1
SCHEMBL4667514 0.79 SCN1A (0.53) SCN1ASCN2ASCN3ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174264-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2015-06-25 US disclosed
US-20100152201-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2010-06-17 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-20150174264-A1 Oligomer-Antihistamine Conjugates HRH4, HRH1, HRH3 SCN1A 3216/4885SCN2A 3338/4885SCN3A 2507/4885
US-20100152201-A1 Oligomer-Antihistamine Conjugates HRH4, HRH1, HRH3 SCN1A 3372/4885SCN2A 3555/4885SCN3A 2714/4885

“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.