SCHEMBL3535876

SCHEMBL3535876

CC(C)(C)[Si](OCCc1ncc2c(n1)CCCC2O)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
SMYD2 Q9NRG4 2/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR3C1 P04150 1/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3531398 0.88 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL13499152 0.83 SMYD2 (0.33) SMYD2
SCHEMBL13499978 0.78 GRM5 (0.37) GRM5CYP1A2CYP2C9TSHRALDH1A1
SCHEMBL3537044 0.77 SMN1; SMN2 (0.42) GRM5SMYD2TSHRALDH1A1HTT
SCHEMBL13628965 0.73 GRM5 (0.39) GRM5CYP1A2CYP2C9TSHRALDH1A1
SCHEMBL28723954 0.70 SMYD2 (0.35) SMYD2ALDH1A1CYP3A4HTTSMN1; SMN2
SCHEMBL23528479 0.69 SMYD2 (0.36) SMYD2ALDH1A1CYP3A4HTTSMN1; SMN2
SCHEMBL29187163 0.68 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL21379464 0.67 SMN1; SMN2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL21379658 0.67 RAB9A (0.41) TSHRCYP3A4HTTSMN1; SMN2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO disclosed
WO-2006041888-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 2006-04-20 WO disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO 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 (6 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 GRM5 1126/4885SMYD2 4216/4885CYP1A2 55/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 GRM5 1126/4885SMYD2 4216/4885CYP1A2 55/4885
US-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 GRM5 1636/4885SMYD2 4773/4885CYP1A2 6/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S GRM5 1519/4885SMYD2 1873/4885CYP1A2 27/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS GRM5 417/4885SMYD2 3832/4885CYP1A2 37/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE GRM5 1496/4885SMYD2 4593/4885CYP1A2 85/4885

“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.