SCHEMBL1677910

SCHEMBL1677910

CCCNCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
EPHX2 P34913 6/20 0.46
GRIN2D O15399 4/20 0.45
GRIN3B O60391 4/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
GRIN2B Q13224 4/20 0.45
GRIN2C Q14957 4/20 0.45
GRIN3A Q8TCU5 4/20 0.45
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
Hydrochloric Acid SCHEMBL27539754 0.98 KMT2A (0.59) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL1678510 0.88 KMT2A (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1677979 0.87 GRIN2D (0.52) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL1677869 0.86 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1677762 0.86 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1678034 0.85 MEN1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1677813 0.85 EPHX2 (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL27617736 0.85 EPHX2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL27599314 0.85 EPHX2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1677999 0.83 EPHX2 (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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 20 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-1561749-B1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 EP 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
EP-1561749-A1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-10 EP disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP 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 MEN1 3379/4885KMT2A 4142/4885L3MBTL1 4038/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4224/4885KMT2A 4164/4885L3MBTL1 3806/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4106/4885KMT2A 4679/4885L3MBTL1 3932/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 MEN1 4587/4885KMT2A 4200/4885L3MBTL1 3120/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 MEN1 4573/4885KMT2A 4173/4885L3MBTL1 3041/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4433/4885KMT2A 4727/4885L3MBTL1 4272/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 3108/4885KMT2A 4664/4885L3MBTL1 2871/4885

“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.