SCHEMBL1677807

SCHEMBL1677807

CCCNCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
EPHX2 P34913 4/20 0.59
EPHX1 P07099 2/20 0.55
FAAH O00519 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4229110 0.83 ATM (0.65) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL10923735 0.79 EPHX2 (0.77) EPHX2EPHX1FAAHALDH1A1KMT2A
SCHEMBL8403724 0.78 EPHX2 (0.66) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL21019534 0.76 EPHX2 (0.97) EPHX2FAAHKMT2ASMN1; SMN2RAB9A
SCHEMBL14503292 0.76 EPHX2 (0.77) EPHX2KMT2A
SCHEMBL10532396 0.76 EPHX2 (0.90) EPHX2EPHX1FAAHALDH1A1KMT2A
SCHEMBL21164697 0.75 ATM (0.56) ATMEPHX2EPHX1FAAHALDH1A1
SCHEMBL24209092 0.75 ATM (0.55) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL21164489 0.75 ATM (0.55) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL12931877 0.75 EPHX2 (1.00) EPHX2FAAHRAB9A

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 ATM 4787/4885EPHX2 1420/4885EPHX1 1045/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 ATM 4053/4885EPHX2 1682/4885EPHX1 1375/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ATM 4252/4885EPHX2 1302/4885EPHX1 1104/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 ATM 2640/4885EPHX2 2354/4885EPHX1 1865/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 ATM 2661/4885EPHX2 2296/4885EPHX1 1840/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ATM 4181/4885EPHX2 1239/4885EPHX1 1211/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ATM 3013/4885EPHX2 2113/4885EPHX1 2359/4885

“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.