SCHEMBL1677539

SCHEMBL1677539

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1cc(C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD11B1 P28845 2/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABCB11 O95342 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
SCHEMBL1677929 0.90 EPHX2 (0.37) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1677699 0.90 EPHX2 (0.36) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1677683 0.90 KDM5A (0.41) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1677737 0.88 EPHX2 (0.35) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1678459 0.87 HSD11B1 (0.48) EPHX2ALDH1A1P2RX7HSD11B1CNR2
SCHEMBL504493 0.83 P2RX7 (0.45) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1678032 0.83 HSD11B1 (0.54) EPHX2ALDH1A1P2RX7HSD11B1CNR2
SCHEMBL1677819 0.82 P2RX7 (0.38) EPHX2P2RX7CNR2CNR1
SCHEMBL1677834 0.82 P2RX7 (0.44) EPHX2ALDH1A1MEN1KMT2AP2RX7
Hydrochloric Acid SCHEMBL1677990 0.82 P2RX7 (0.44) EPHX2ALDH1A1LMNAMEN1KMT2A

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 15 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
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
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 EPHX2 1420/4885ALDH1A1 557/4885LMNA 4724/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1682/4885ALDH1A1 950/4885LMNA 4693/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1302/4885ALDH1A1 964/4885LMNA 4847/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 EPHX2 2354/4885ALDH1A1 1014/4885LMNA 4863/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 EPHX2 2296/4885ALDH1A1 1011/4885LMNA 4862/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1239/4885ALDH1A1 556/4885LMNA 4715/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 2113/4885ALDH1A1 1792/4885LMNA 4656/4885

“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.