SCHEMBL1677942

SCHEMBL1677942

CC(C)(C)[Si](C)(C)OC(CCN)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNK2 O95069 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
APLNR P35414 2/20 0.30

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
SCHEMBL23354701 0.87 CA2 (0.35) CA2LOXL2CYP3A4CYP2C19
SCHEMBL15948268 0.83 AOC3 (0.39) CA2SLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL1678499 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNK2KCNH2
SCHEMBL23354728 0.75 CNR1 (0.36) CA2CYP3A4
SCHEMBL25865687 0.75 ADRB2 (0.37) CA2CYP3A4CYP2C19
SCHEMBL31410509 0.75 SLC6A4 (0.37) CA2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9602856 0.73 CYP3A4 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL23354885 0.73 ADRB2 (0.39)
SCHEMBL3386613 0.72 TAAR1 (0.41) CA2SLC6A2SLC6A4SLC6A3
SCHEMBL3386536 0.72 TAAR1 (0.41) CA2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
EP-1568692-B1 (Pyridinyl)alkyl-amides or -ureas as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-15 EP disclosed
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US disclosed
US-20100016380-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-1743885-B1 1-[(adamantyl)alkyl]-3-[(pyridinyl)alkyl]urea compounds as TNF-.alpha inhibitors useful for autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-11 EP disclosed
US-7491739-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20080182881-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2008-07-31 US disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-7345064-B2 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP disclosed
US-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-26 US disclosed
US-20060229342-A1 TNF-a production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-12 US disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 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 (7 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-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes TNFRSF1A, FFAR4, NGFR CA2 1311/4885SLC6A2 3048/4885SLC6A4 1037/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 CA2 3974/4885SLC6A2 3467/4885SLC6A4 1398/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CA2 3500/4885SLC6A2 3571/4885SLC6A4 1435/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 CA2 3214/4885SLC6A2 4170/4885SLC6A4 2108/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 CA2 3311/4885SLC6A2 4179/4885SLC6A4 2110/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CA2 3078/4885SLC6A2 3918/4885SLC6A4 2243/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CA2 4682/4885SLC6A2 3611/4885SLC6A4 3874/4885

“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.