SCHEMBL1677680

SCHEMBL1677680

CCOC(=O)N(C)CCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 3/20 0.36
CYP17A1 P05093 2/20 0.36
EPHX2 P34913 5/20 0.36
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
CXCR3 P49682 1/20 0.34
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1679354 0.92 P2RX7 (0.42) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1677982 0.90 ALDH1A1 (0.43) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1678221 0.89 P2RX7 (0.38) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1677543 0.89 P2RX7 (0.39) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1678831 0.89 P2RX7 (0.39) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1678208 0.88 P2RX7 (0.42) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1678512 0.88 P2RX7 (0.42) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1677861 0.88 P2RX7 (0.43) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1677533 0.87 P2RX7 (0.46) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1678436 0.87 P2RX7 (0.51) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A

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-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-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-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-1276737-A1 SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR (NHE-1) Pfizer Products Inc. (US) 2003-01-22 EP disclosed
WO-2001083470-A1 SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR (NHE-1) PFIZER PRODUCTS INC. (US) 2001-11-08 WO 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-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 1408/4885SMN1; SMN2 4392/4885ALDH1A1 557/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1294/4885SMN1; SMN2 4499/4885ALDH1A1 950/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1605/4885SMN1; SMN2 4454/4885ALDH1A1 964/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885SMN1; SMN2 4171/4885ALDH1A1 556/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 401/4885SMN1; SMN2 4681/4885ALDH1A1 1792/4885

“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.