SCHEMBL1677756

SCHEMBL1677756

CN(CCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)CCCCc1ccncc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 7/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 1/20 0.38
RAF1 P04049 2/20 0.36
MAP2K1 Q02750 2/20 0.36
EPHX1 P07099 1/20 0.35
P2RX7 Q99572 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL28751867 0.88 EPHX2 (0.38) ALDH1A1EPHX2NPC1RAB9AP2RX7
SCHEMBL1677982 0.87 ALDH1A1 (0.43) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1678240 0.85 CYP19A1 (0.38) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1679333 0.85 CYP19A1 (0.37) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL3569565 0.84 P2RX7 (0.42) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL3570162 0.83 P2RX7 (0.47) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1678126 0.81 P2RX7 (0.38) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1677873 0.81 P2RX7 (0.43) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1678173 0.79 P2RX7 (0.41) CYP17A1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1677903 0.78 CNR2 (0.42) CYP17A1CYP19A1MEN1KMT2AALDH1A1

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 17 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-1561749-B1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 EP 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-1561749-A1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-10 EP 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 CYP17A1 434/4885CYP19A1 746/4885MEN1 3379/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 823/4885CYP19A1 626/4885MEN1 4224/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 886/4885CYP19A1 1018/4885MEN1 4106/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 CYP17A1 1111/4885CYP19A1 591/4885MEN1 4587/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 CYP17A1 1021/4885CYP19A1 591/4885MEN1 4573/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 664/4885CYP19A1 914/4885MEN1 4433/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP17A1 723/4885CYP19A1 869/4885MEN1 3108/4885

“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.