SCHEMBL1677929

SCHEMBL1677929

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.37
P2RX7 Q99572 5/20 0.36
ABCB11 O95342 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
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
SCHEMBL1677699 0.92 EPHX2 (0.36) EPHX2P2RX7MEN1KMT2AEPHX1
SCHEMBL1677539 0.90 EPHX2 (0.38) EPHX2P2RX7ABCB11MEN1KMT2A
SCHEMBL1677683 0.89 KDM5A (0.41) EPHX2P2RX7MEN1KMT2AEPHX1
SCHEMBL1677737 0.87 EPHX2 (0.35) EPHX2P2RX7MEN1KMT2AHSD11B1
SCHEMBL1678459 0.86 HSD11B1 (0.48) EPHX2P2RX7EPHX1HSD11B1CNR1
SCHEMBL504493 0.86 P2RX7 (0.45) EPHX2P2RX7MEN1KMT2AEPHX1
SCHEMBL1678501 0.85 P2RX7 (0.44) EPHX2P2RX7MEN1KMT2AEPHX1
SCHEMBL1677834 0.85 P2RX7 (0.44) EPHX2P2RX7MEN1KMT2AEPHX1
Hydrochloric Acid SCHEMBL1677990 0.85 P2RX7 (0.44) EPHX2P2RX7MEN1KMT2AEPHX1
SCHEMBL1677544 0.83 P2RX7 (0.44) EPHX2P2RX7MEN1KMT2AEPHX1

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 1420/4885P2RX7 1408/4885ABCB11 4091/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1682/4885P2RX7 1294/4885ABCB11 4094/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1302/4885P2RX7 1605/4885ABCB11 3982/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 EPHX2 2354/4885P2RX7 1763/4885ABCB11 4582/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 EPHX2 2296/4885P2RX7 1805/4885ABCB11 4645/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1239/4885P2RX7 2242/4885ABCB11 4001/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 2113/4885P2RX7 401/4885ABCB11 4560/4885

“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.