SCHEMBL1678063

SCHEMBL1678063

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)OCC(C)Cc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.38
CYP19A1 P11511 5/20 0.38
P2RX7 Q99572 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL1677874 0.85 CYP19A1 (0.41) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1677604 0.83 P2RX7 (0.42) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL20702287 0.83 P2RX7 (0.38) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1677709 0.82 P2RX7 (0.40) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1678250 0.79 P2RX7 (0.43) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1678138 0.78 P2RX7 (0.40) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1678461 0.77 P2RX7 (0.42) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1677854 0.77 P2RX7 (0.41) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1678173 0.77 P2RX7 (0.41) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1679094 0.77 P2RX7 (0.55) CYP17A1CYP19A1P2RX7SMN1; SMN2ALDH1A1

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 14 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-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-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 (6 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 CYP17A1 434/4885CYP19A1 746/4885P2RX7 1408/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 823/4885CYP19A1 626/4885P2RX7 1294/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 CYP17A1 1111/4885CYP19A1 591/4885P2RX7 1763/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 CYP17A1 1021/4885CYP19A1 591/4885P2RX7 1805/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 664/4885CYP19A1 914/4885P2RX7 2242/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 723/4885CYP19A1 869/4885P2RX7 401/4885

“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.