SCHEMBL6479441

SCHEMBL6479441

[CH2]N(C)CCc1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
FDPS P14324 1/20 0.36
FBP1 P09467 2/20 0.35
PDK1 Q15118 1/20 0.34
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CYP3A4 P08684 1/20 0.32
HRH1 P35367 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31

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
SCHEMBL5544452 0.84 HTR7 (0.52) HTR7FDPSFBP1SLC6A3ALDH1A1
SCHEMBL12344564 0.77 TRPM8 (0.38) HTR7FDPSFBP1SLC6A3ALDH1A1
SCHEMBL357852 0.73
SCHEMBL16213762 0.71 HTR7 (0.41) HTR7FDPSFBP1PDK1SLC6A3
SCHEMBL933218 0.71
SCHEMBL559034 0.69
SCHEMBL2050589 0.69
SCHEMBL9983739 0.69 DRD2 (0.38) HTR7FDPSTRPM8
SCHEMBL11129960 0.69
SCHEMBL841789 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US claimed
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 HTR7 4163/4885FDPS 2926/4885FBP1 1588/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 HTR7 4203/4885FDPS 2899/4885FBP1 1535/4885

“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.