SCHEMBL1679237

SCHEMBL1679237

CC(C)CCN(CC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
CTSK P43235 3/20 0.39
MC4R P32245 1/20 0.38
CYP3A4 P08684 5/20 0.38
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CYP17A1 P05093 1/20 0.36
CAPN1 P07384 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
ATM Q13315 1/20 0.35
CTSS P25774 1/20 0.35
BACE1 P56817 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
SCHEMBL1679235 0.85 CYP17A1 (0.39) CTSKMC4RCYP3A4CA2CA1
SCHEMBL1677582 0.81 KMT2A (0.43)
Hydrochloric Acid SCHEMBL1678047 0.80 KMT2A (0.43)
SCHEMBL8129760 0.77 CYP3A4 (0.52) CYP3A4CA2CA1SIGMAR1CYP17A1
SCHEMBL1677738 0.75 LMNA (0.39)
SCHEMBL25122811 0.74 CYP3A4 (0.54) CYP3A4CA2CA1SIGMAR1CYP17A1
SCHEMBL25122892 0.73 CYP3A4 (0.56) CYP3A4CA2CA1SIGMAR1CYP17A1
SCHEMBL1677598 0.70 HRH3 (0.49)
SCHEMBL2024124 0.70 CYP17A1 (0.53) CYP3A4CA2CA1CYP17A1
Hydrochloric Acid SCHEMBL1677673 0.69 CYP2D6 (0.43)

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 17 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
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
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
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP 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 SYK 2634/4885CTSK 3517/4885MC4R 492/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 SYK 913/4885CTSK 3944/4885MC4R 1228/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SYK 1212/4885CTSK 4098/4885MC4R 1232/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 SYK 3545/4885CTSK 3747/4885MC4R 732/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 SYK 3561/4885CTSK 3754/4885MC4R 709/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SYK 1160/4885CTSK 3808/4885MC4R 2119/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SYK 1162/4885CTSK 1637/4885MC4R 2765/4885

“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.