SCHEMBL1677819

SCHEMBL1677819

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccnc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
FAP Q12884 2/20 0.38
EPHX2 P34913 2/20 0.36
CNR2 P34972 6/20 0.36
CNR1 P21554 3/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1678459 0.84 HSD11B1 (0.48) P2RX7EPHX2CNR2CNR1EPHX1
SCHEMBL1677539 0.82 EPHX2 (0.38) P2RX7EPHX2CNR2CNR1
SCHEMBL1677929 0.82 EPHX2 (0.37) P2RX7EPHX2CNR2CNR1EPHX1
SCHEMBL504493 0.82 P2RX7 (0.45) P2RX7EPHX2CNR2CNR1EPHX1
SCHEMBL1678032 0.81 HSD11B1 (0.54) P2RX7EPHX2CNR2CNR1
SCHEMBL1677699 0.81 EPHX2 (0.36) P2RX7EPHX2CNR2CNR1EPHX1
SCHEMBL1677683 0.81 KDM5A (0.41) P2RX7EPHX2CNR2CNR1EPHX1
Hydrochloric Acid SCHEMBL1677990 0.81 P2RX7 (0.44) P2RX7EPHX2CNR2CNR1EPHX1
SCHEMBL1677834 0.81 P2RX7 (0.44) P2RX7EPHX2CNR2CNR1EPHX1
SCHEMBL1678501 0.81 P2RX7 (0.44) P2RX7EPHX2CNR2CNR1EPHX1

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 1408/4885FAP 2031/4885EPHX2 1420/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1294/4885FAP 4333/4885EPHX2 1682/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1605/4885FAP 4501/4885EPHX2 1302/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 P2RX7 1763/4885FAP 4757/4885EPHX2 2354/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 P2RX7 1805/4885FAP 4750/4885EPHX2 2296/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885FAP 3997/4885EPHX2 1239/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 401/4885FAP 3421/4885EPHX2 2113/4885

“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.