SCHEMBL4729318

SCHEMBL4729318

CC(C)(C)OC(=O)CNC1CCC(NCc2cc(B(O)O)ccc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
RORC P51449 1/20 0.32
PARP1 P09874 2/20 0.32
ABCB1 P08183 1/20 0.32
MIF P14174 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
PABPC1 P11940 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.31
PTPRC P08575 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4734547 0.86 MEN1 (0.39) MTNR1AMTNR1BL3MBTL1
SCHEMBL4731491 0.85 NPBWR1 (0.43) L3MBTL1
SCHEMBL12678815 0.84 DPP4 (0.37) GPR119HTR2AHTR2CSLC6A4
SCHEMBL12678687 0.74 GAA (0.40) L3MBTL1
SCHEMBL4733145 0.74 MEN1 (0.39) L3MBTL1EPHX2
SCHEMBL7380787 0.73 EPHX1 (0.38) ABCB1HRH3L3MBTL1EPHX2
SCHEMBL12678325 0.71 MEN1 (0.37) L3MBTL1EPHX2
SCHEMBL12678335 0.69 NPBWR1 (0.41) GPR119
SCHEMBL11366947 0.67 BTK (0.45) HRH3L3MBTL1EPHX2
SCHEMBL7277999 0.67 EPHX1 (0.46) HRH3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-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) 2008-07-31 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

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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GPR119 1346/4885MTNR1A 1963/4885MTNR1B 2076/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO GPR119 1346/4885MTNR1A 1963/4885MTNR1B 2076/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GPR119 1346/4885MTNR1A 1963/4885MTNR1B 2076/4885
US-20080182859-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 GPR119 255/4885MTNR1A 277/4885MTNR1B 286/4885

“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.