SCHEMBL1677543

SCHEMBL1677543

CN(CCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP19A1 P11511 4/20 0.37
CYP17A1 P05093 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 4/20 0.36
EPHX1 P07099 1/20 0.36
NAMPT P43490 2/20 0.35
HDAC11 Q96DB2 1/20 0.34
CXCR3 P49682 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
HIF1A Q16665 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
SCHEMBL1677528 0.96 P2RX7 (0.39) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
SCHEMBL1678508 0.96 P2RX7 (0.39) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
SCHEMBL1678221 0.93 P2RX7 (0.38) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
SCHEMBL1678145 0.92 P2RX7 (0.37) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
SCHEMBL1678526 0.91 NAMPT (0.42) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
SCHEMBL1679354 0.91 P2RX7 (0.42) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
SCHEMBL4373986 0.89 EPHX2 (0.35) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1677680 0.89 P2RX7 (0.40) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1
Iodide SCHEMBL1677836 0.88 EPHX2 (0.35) P2RX7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1678831 0.88 P2RX7 (0.39) P2RX7SMN1; SMN2CYP19A1CYP17A1ALDH1A1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US claimed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP claimed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP claimed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US claimed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP claimed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 US claimed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP disclosed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP disclosed
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
EP-1568692-B1 (Pyridinyl)alkyl-amides or -ureas as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-15 EP disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP 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-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP 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 (3 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-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SLC10A2, NR1H4, SLC10A6 P2RX7 1697/4885SMN1; SMN2 4040/4885CYP19A1 621/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 P2RX7 1805/4885SMN1; SMN2 4717/4885CYP19A1 591/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885SMN1; SMN2 4171/4885CYP19A1 914/4885

“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.