SCHEMBL1004941

SCHEMBL1004941

CC(CCN)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.40
RIPK1 Q13546 1/20 0.39
TAAR1 Q96RJ0 3/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KCNK2 O95069 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4914439 0.87 TAAR1 (0.41) RIPK1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL16634021 0.87 TAAR1 (0.41) RIPK1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10098880 0.85 RIPK1 (0.36) HRH1RIPK1SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL8391322 0.84 TRPA1 (0.40) RIPK1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL27032153 0.84 TRPA1 (0.40) RIPK1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL14564989 0.84 TRPA1 (0.40) RIPK1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL25283840 0.83 RIPK1 (0.37) RIPK1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL25283839 0.83 RIPK1 (0.37) RIPK1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL25288593 0.83 RIPK1 (0.37) RIPK1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12333567 0.82 RIPK1 (0.32) RIPK1ALDH1A1SMN1; SMN2CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-02 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-7550501-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-23 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
US-20070167409-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI CO., LTD. (JP) 2007-07-19 US disclosed
US-7202234-B2 Compounds and methods for treating Toll-like receptor 2-related diseases and conditions EISAI CO., LTD. (JP) 2007-04-10 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 (3 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HRH1 405/4885RIPK1 4007/4885TAAR1 1071/4885
US-20070167409-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 HRH1 556/4885RIPK1 1011/4885TAAR1 613/4885
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 HRH1 556/4885RIPK1 1011/4885TAAR1 613/4885

“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.