SCHEMBL1677656

SCHEMBL1677656

NCC(Cc1ccccc1)Cc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A3 Q01959 2/20 0.55
LOXL2 Q9Y4K0 2/20 0.46
EPHX1 P07099 1/20 0.45
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL1677843 0.92 LOXL2 (0.54) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4
SCHEMBL516032 0.87 EPHX1 (0.56) SLC6A2SLC6A4SLC6A3LOXL2EPHX1
SCHEMBL6563096 0.83 EPHX1 (0.56) SLC6A2SLC6A4SLC6A3LOXL2EPHX1
SCHEMBL1677870 0.80 LOXL2 (0.46) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4
Hydrochloric Acid SCHEMBL29821862 0.78 LOXL2 (0.45) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4
SCHEMBL2604897 0.75 TAAR1 (0.50) SLC6A2SLC6A4SLC6A3LOXL2EPHX1
SCHEMBL353179 0.75 TRPA1 (0.50) SLC6A2SLC6A4SLC6A3LOXL2EPHX1
SCHEMBL4049046 0.75 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL11517810 0.75 EPHX1 (0.48) SLC6A2SLC6A4SLC6A3LOXL2EPHX1
SCHEMBL353629 0.75 EPHX1 (0.48) SLC6A2SLC6A4SLC6A3LOXL2EPHX1

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 23 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-1324012-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-07-04 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 SLC6A2 3048/4885SLC6A4 1037/4885SLC6A3 2718/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC6A2 3467/4885SLC6A4 1398/4885SLC6A3 2815/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC6A2 3571/4885SLC6A4 1435/4885SLC6A3 2577/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 SLC6A2 4170/4885SLC6A4 2108/4885SLC6A3 3037/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 SLC6A2 4179/4885SLC6A4 2110/4885SLC6A3 3096/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC6A2 3918/4885SLC6A4 2243/4885SLC6A3 3337/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SLC6A2 3611/4885SLC6A4 3874/4885SLC6A3 3254/4885

“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.