SCHEMBL6854440

SCHEMBL6854440

COC(=O)[C@H](Cc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.54
SCN9A Q15858 2/20 0.52
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HCRTR1 O43613 1/20 0.46
KLK7 P49862 1/20 0.46
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
SSTR3 P32745 1/20 0.44

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
SCHEMBL31725820 0.89 TACR1 (0.61) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL6853261 0.86 HDAC3 (0.48) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL6853259 0.86 HDAC3 (0.48) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL17961906 0.85 TACR1 (0.59) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL17961907 0.85 TACR1 (0.59) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL5123229 0.84 TACR1 (0.62) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL14032553 0.84 TACR1 (0.64) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL5123222 0.84 TACR1 (0.62) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL21310053 0.84 TACR1 (0.62) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL21310052 0.83 TACR1 (0.53) TACR1SCN9ACTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TACR1 4676/4885SCN9A 2367/4885CTSL 3589/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TACR1 4676/4885SCN9A 2367/4885CTSL 3589/4885

“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.