SCHEMBL1678069

SCHEMBL1678069

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.58
CYP17A1 P05093 3/20 0.53
CYP19A1 P11511 3/20 0.53
HSD11B1 P28845 1/20 0.53
TRPV1 Q8NER1 1/20 0.48
FAAH O00519 2/20 0.45
POLB P06746 2/20 0.44
FES P07332 1/20 0.42
RET P07949 1/20 0.42
MARK3 P27448 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
SYK P43405 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL1677445 0.91 P2RX7 (0.48) P2RX7CYP17A1CYP19A1HSD11B1TRPV1
SCHEMBL1678188 0.91 P2RX7 (0.48) P2RX7CYP17A1CYP19A1HSD11B1TRPV1
SCHEMBL1679094 0.88 P2RX7 (0.55) P2RX7CYP17A1CYP19A1KMT2AMEN1
SCHEMBL12370744 0.83 NAMPT (0.41) P2RX7CYP17A1CYP19A1HSD11B1TRPV1
SCHEMBL1678066 0.82 P2RX7 (0.57) P2RX7HSD11B1POLBKMT2AMEN1
SCHEMBL504493 0.80 P2RX7 (0.45) P2RX7CYP17A1CYP19A1KMT2AMEN1
SCHEMBL1677470 0.80 P2RX7 (0.45) P2RX7CYP17A1CYP19A1POLBKMT2A
SCHEMBL1677834 0.80 P2RX7 (0.44) P2RX7CYP17A1CYP19A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1677990 0.80 P2RX7 (0.44) P2RX7CYP17A1CYP19A1KMT2AMEN1
SCHEMBL1677544 0.80 P2RX7 (0.44) P2RX7CYP17A1CYP19A1KMT2AMEN1

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 15 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-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
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 P2RX7 1408/4885CYP17A1 434/4885CYP19A1 746/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1294/4885CYP17A1 823/4885CYP19A1 626/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1605/4885CYP17A1 886/4885CYP19A1 1018/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 P2RX7 1763/4885CYP17A1 1111/4885CYP19A1 591/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 P2RX7 1805/4885CYP17A1 1021/4885CYP19A1 591/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885CYP17A1 664/4885CYP19A1 914/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 401/4885CYP17A1 723/4885CYP19A1 869/4885

“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.