SCHEMBL1677683

SCHEMBL1677683

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.41
KDM5B Q9UGL1 6/20 0.39
KDM5C P41229 3/20 0.39
KDM4A O75164 2/20 0.39
KDM6B O15054 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
EPHX2 P34913 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL1677539 0.90 EPHX2 (0.38) EPHX2CNR1CNR2KDM4EALDH1A1
SCHEMBL1677929 0.89 EPHX2 (0.37) EPHX2CNR1CNR2KDM4EALDH1A1
SCHEMBL1677699 0.88 EPHX2 (0.36) EPHX2CNR1CNR2KDM4EALDH1A1
SCHEMBL1677737 0.86 EPHX2 (0.35) EPHX2CNR1CNR2KDM4EALDH1A1
SCHEMBL1678459 0.86 HSD11B1 (0.48) EPHX2CNR1CNR2KDM4EALDH1A1
SCHEMBL504493 0.82 P2RX7 (0.45) EPHX2CNR1CNR2ALDH1A1LMNA
SCHEMBL1678032 0.81 HSD11B1 (0.54) EPHX2CNR1CNR2KDM4EALDH1A1
SCHEMBL1677819 0.81 P2RX7 (0.38) EPHX2CNR1CNR2P2RX7EPHX1
SCHEMBL1677834 0.81 P2RX7 (0.44) EPHX2CNR1CNR2ALDH1A1HTT
Hydrochloric Acid SCHEMBL1677990 0.81 P2RX7 (0.44) EPHX2CNR1CNR2ALDH1A1LMNA

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 16 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-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 KDM5A 2003/4885KDM5B 2042/4885KDM5C 2715/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM5A 2857/4885KDM5B 2839/4885KDM5C 3962/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM5A 3106/4885KDM5B 2970/4885KDM5C 3873/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 KDM5A 2377/4885KDM5B 2040/4885KDM5C 3224/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 KDM5A 2361/4885KDM5B 2025/4885KDM5C 3225/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM5A 3428/4885KDM5B 3581/4885KDM5C 3897/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM5A 4066/4885KDM5B 3566/4885KDM5C 3774/4885

“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.