SCHEMBL66648

SCHEMBL66648

CC(C)(C)OC(=O)CNC1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.39
METAP1 P53582 1/20 0.36
EPHX1 P07099 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BTK Q06187 1/20 0.33
HSD11B2 P80365 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.32
ABCB1 P08183 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL4896880 1.00 SMYD3 (0.39) SMYD3METAP1EPHX1HRH3L3MBTL1
SCHEMBL8712462 0.94 SMYD3 (0.36) SMYD3METAP1EPHX1HRH3L3MBTL1
SCHEMBL7380787 0.91 EPHX1 (0.38) METAP1EPHX1HRH3L3MBTL1BTK
SCHEMBL7277999 0.84 EPHX1 (0.46) EPHX1HRH3BTKGAAEPHX2
SCHEMBL11366947 0.84 BTK (0.45) EPHX1HRH3L3MBTL1BTKGAA
SCHEMBL2547400 0.83 EPHX1 (0.49) EPHX1BTKGAAEPHX2
SCHEMBL11373425 0.83 EPHX1 (0.49) EPHX1BTKGAAEPHX2
SCHEMBL16374968 0.82 SMYD3 (0.43) SMYD3METAP1EPHX2
SCHEMBL1344890 0.82 BTK (0.44) METAP1EPHX1HRH3L3MBTL1BTK
SCHEMBL8585956 0.82 NR1H2 (0.42) METAP1EPHX1HRH3L3MBTL1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
CN-1578779-B Small organic molecule regulators of cell proliferation CURIS INC 2013-09-18 CN disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20060287385-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2006-12-21 US disclosed
US-7115653-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2006-10-03 US disclosed
EP-1436287-A4 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS INC (US) 2005-10-26 EP disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
CN-1578779-A Small organic molecule regulators of cell proliferation CURIS INC (US) 2005-02-09 CN disclosed
EP-1436287-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION Curis, Inc. (US) 2004-07-14 EP disclosed
WO-2003027234-A9 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS INC (US) 2004-02-19 WO disclosed
US-20030139457-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2003-07-24 US disclosed
WO-2003027234-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2003-04-03 WO 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 (4 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-20060287385-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SMYD3 505/4885METAP1 3253/4885EPHX1 2273/4885
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO SMYD3 502/4885METAP1 2099/4885EPHX1 2437/4885
US-20030139457-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SMYD3 505/4885METAP1 3253/4885EPHX1 2273/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SMYD3 505/4885METAP1 3253/4885EPHX1 2273/4885

“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.