SCHEMBL6324877

SCHEMBL6324877

[CH2]N(C)C[C@@H](O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KCNA5 P22460 5/20 0.47
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
CHRM2 P08172 4/20 0.45
SCN1A P35498 3/20 0.45
SCN2A Q99250 3/20 0.45
SCN3A Q9NY46 3/20 0.45
KCNH2 Q12809 4/20 0.45
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
SCN5A Q14524 1/20 0.44
KCND3 Q9UK17 1/20 0.44
CYP2D6 P10635 3/20 0.42
KCNE1 P15382 1/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL6320631 1.00 TSHR (0.56) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL6282488 1.00 TSHR (0.56) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL6282491 0.87 TSHR (0.68) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL1205713 0.87 TSHR (0.68) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL6323436 0.79 TSHR (0.39) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL6284707 0.79 TSHR (0.39) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL25159691 0.79 TSHR (0.49) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL7268370 0.79 KCNA5 (0.52) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL31744336 0.79 KCNA5 (0.52) TSHRKCNA5SLC6A2SLC6A4CHRM2
SCHEMBL506917 0.79 KCNA5 (0.52) TSHRKCNA5SLC6A2SLC6A4CHRM2

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
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US claimed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 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

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 TSHR 3688/4885KCNA5 1730/4885SLC6A2 1762/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 TSHR 2937/4885KCNA5 1940/4885SLC6A2 2641/4885

“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.