SCHEMBL1677909

SCHEMBL1677909

CCNCC(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
EPHX2 P34913 7/20 0.37
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1678509 0.78 EPHX2 (0.54) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL133167 0.76 SLC22A2 (0.52) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL1677868 0.76 EPHX2 (0.41) SLC22A2SLC47A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL1677812 0.74 EPHX2 (0.40) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL11636157 0.74 SLC22A2 (0.56) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL136083 0.72 SLC22A2 (0.48) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL14198229 0.71 MEN1 (0.50) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL14695859 0.70 SLC22A2 (0.50) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL135697 0.69 SLC22A2 (0.45) SLC22A2SLC47A1MAPTKMT2AMEN1
Diethylamine SCHEMBL27873091 0.66 TP53 (0.38) KMT2AMEN1ALDH1A1SMN1; 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 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 SLC22A2 2166/4885SLC47A1 1562/4885MAPT 4806/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC22A2 2951/4885SLC47A1 2094/4885MAPT 4835/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC22A2 2864/4885SLC47A1 2148/4885MAPT 4869/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 SLC22A2 2439/4885SLC47A1 3829/4885MAPT 4340/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 SLC22A2 2457/4885SLC47A1 3955/4885MAPT 4358/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC22A2 2866/4885SLC47A1 2012/4885MAPT 4862/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC22A2 3512/4885SLC47A1 1918/4885MAPT 4430/4885

“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.