SCHEMBL5833086

SCHEMBL5833086

CN(C)CCc1ccccc1Sc1cc(F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.80
PDE7A Q13946 6/20 0.47
TAAR1 Q96RJ0 2/20 0.42
SLC6A2 P23975 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
PDE7B Q9NP56 2/20 0.39
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7091064 0.89 SLC6A4 (1.00) SLC6A4PDE7ASLC6A2SLC6A3
SCHEMBL5832916 0.76 SLC6A4 (0.76) SLC6A4PDE7ASLC6A2ALDH1A1MAPT
SCHEMBL1645812 0.76 SLC6A4 (0.77) SLC6A4SLC6A2ALDH1A1SLC6A3
SCHEMBL5833050 0.75 SLC6A4 (0.76) SLC6A4PDE7ASLC6A2SLC6A3
SCHEMBL5833091 0.72 SLC6A4 (0.58) SLC6A4PDE7ASLC6A2ALDH1A1MAPT
SCHEMBL7262800 0.72 ALDH1A1 (0.60) TAAR1ALDH1A1
SCHEMBL1644221 0.71 SLC6A4 (0.69) SLC6A4PDE7ASLC6A2SLC6A3
SCHEMBL1110747 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL1644247 0.69 PDE7A (0.56) SLC6A4PDE7ASLC6A2ALDH1A1MAPT
SCHEMBL1645804 0.67 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3

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-7041851-B2 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-05-09 US disclosed
US-20030236234-A1 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2003-12-25 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 (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-20030236234-A1 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters SLC6A4, SLCO4C1, SLC6A2 SLC6A4 1/4885PDE7A 1594/4885TAAR1 330/4885

“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.