SCHEMBL1677708

SCHEMBL1677708

CC(CN)Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
CYP3A4 P08684 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HRH1 P35367 2/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 3/20 0.36
TAAR1 Q96RJ0 2/20 0.35
MAOA P21397 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LATS1 O95835 1/20 0.35

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
SCHEMBL1680000 1.00 LOXL2 (0.50) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8294943 0.80 CYP3A4 (0.44) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4049046 0.78 SLC6A2 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL1678528 0.78 CYP3A4 (0.47) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1678529 0.78 CYP3A4 (0.47) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL21394848 0.78 S1PR1 (0.46) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1677843 0.77 LOXL2 (0.54) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16321985 0.77 TAAR1 (0.60) LOXL2SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL21755872 0.77 TAAR1 (0.60) LOXL2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL681082 0.77 TAAR1 (0.60) LOXL2SLC6A2SLC6A4SLC6A3CYP2D6

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 26 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
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
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-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
CN-1590375-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
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP 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
EP-0446604-A2 Pyridine and related aza heterocycle derivatives as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1991-09-18 EP 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 (5 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-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 3146/4885CYP3A4 304/4885CYP1A2 812/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 LOXL2 2576/4885CYP3A4 850/4885CYP1A2 1722/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 LOXL2 2581/4885CYP3A4 852/4885CYP1A2 1716/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 2802/4885CYP3A4 425/4885CYP1A2 718/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LOXL2 3258/4885CYP3A4 1767/4885CYP1A2 929/4885

“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.