SCHEMBL3583453

SCHEMBL3583453

C#CCNC(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 7/20 0.42
SLC22A2 O15244 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14198229 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL6616102 0.70 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL1420783 0.70 EPHX2 (0.46) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL15114260 0.70 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL13585818 0.70 NPC1 (0.53) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL12797027 0.70 NPC1 (0.53) MEN1KMT2AALDH1A1NPC1EPHX2
Hydrochloric Acid SCHEMBL4950318 0.69 EPHX2 (0.50) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL25589733 0.69 NPC1 (0.52) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL15114269 0.68 MEN1 (0.42) MEN1KMT2AALDH1A1NPC1EPHX2
SCHEMBL23023223 0.67 MEN1 (0.71) MEN1KMT2AALDH1A1EPHX2HDAC6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 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 (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 MEN1 3379/4885KMT2A 4142/4885ALDH1A1 557/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4224/4885KMT2A 4164/4885ALDH1A1 950/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4106/4885KMT2A 4679/4885ALDH1A1 964/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 MEN1 4587/4885KMT2A 4200/4885ALDH1A1 1014/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 MEN1 4573/4885KMT2A 4173/4885ALDH1A1 1011/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4433/4885KMT2A 4727/4885ALDH1A1 556/4885

“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.