SCHEMBL1678495

SCHEMBL1678495

CCC(N)CCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
HRH1 P35367 2/20 0.42
S1PR1 P21453 5/20 0.38
S1PR2 O95136 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
AKT1 P31749 1/20 0.38
S1PR3 Q99500 4/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
ALDH1A1 P00352 1/20 0.37
S1PR4 O95977 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10910996 0.91 LOXL2 (0.44) LOXL2HRH1S1PR1S1PR2AKT1
SCHEMBL7187149 0.87 LOXL2 (0.56) LOXL2HRH1HRH3AKT1ANPEP
Hydrazine SCHEMBL2570106 0.80 LOXL2 (0.48) LOXL2HRH1HRH3ALDH1A1TDP1
SCHEMBL6938911 0.79 SLC6A4 (0.55) LOXL2AKT1ANPEPALDH1A1
SCHEMBL31223729 0.79 LOXL2 (0.52) LOXL2HRH1HRH3ANPEPERAP2
SCHEMBL1677867 0.79 LOXL2 (0.52) LOXL2HRH1HRH3ANPEPERAP2
SCHEMBL4323451 0.79 ANPEP (0.48) LOXL2S1PR1S1PR2S1PR3ANPEP
SCHEMBL13452965 0.79 ANPEP (0.48) LOXL2S1PR1S1PR2S1PR3ANPEP
SCHEMBL22229846 0.79 LOXL2 (0.52) LOXL2HRH1HRH3ANPEPERAP2
SCHEMBL1148969 0.79 ANPEP (0.48) LOXL2S1PR1S1PR2S1PR3ANPEP

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 22 patents — showing the first 20. 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
CN-1307159-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN 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
CN-1590375-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
CN-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 CN 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 LOXL2 1360/4885HRH1 17/4885S1PR1 1262/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 3300/4885HRH1 203/4885S1PR1 833/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 3146/4885HRH1 108/4885S1PR1 682/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 LOXL2 2576/4885HRH1 493/4885S1PR1 1893/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 LOXL2 2581/4885HRH1 488/4885S1PR1 1948/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 2802/4885HRH1 133/4885S1PR1 528/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 3258/4885HRH1 79/4885S1PR1 1369/4885

“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.