SCHEMBL4733667

SCHEMBL4733667

CCOc1ccc(-c2cccc(C#N)c2)cc1CNC1CCC(CNC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
NPBWR1 P48145 1/20 0.39
CTSA P10619 1/20 0.39
VNN1 O95497 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
F10 P00742 1/20 0.37
CD274 Q9NZQ7 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL4732365 0.92 NPBWR1 (0.41) MCHR1NPBWR1CTSA
SCHEMBL4731664 0.91 CTSA (0.42) MCHR1BRD4CTSAF10CD274
SCHEMBL4733671 0.85 IRAK4 (0.41) MCHR1GAAHRH2HRH1NPBWR1
SCHEMBL5616361 0.85 MCHR1 (0.42) MCHR1GAABRD4HRH2HRH1
SCHEMBL12540936 0.85 BRD4 (0.37) MCHR1GAABRD4HRH2HRH1
SCHEMBL5616360 0.83 MCHR1 (0.38) MCHR1GAAHRH2HRH1NPBWR1
Hydrochloric Acid SCHEMBL4731442 0.83 NPBWR1 (0.44) MCHR1GAABRD4HRH2HRH1
SCHEMBL12540934 0.83 CTSA (0.39) MCHR1GAAHRH2HRH1NPBWR1
SCHEMBL4734011 0.83 CHEK1 (0.45) GAACTSACD274
SCHEMBL4730038 0.82 NPBWR1 (0.41) MCHR1NPBWR1

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-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
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 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 (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 MCHR1 1785/4885GAA 3561/4885BRD4 328/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MCHR1 3557/4885GAA 1196/4885BRD4 481/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MCHR1 1785/4885GAA 3561/4885BRD4 328/4885
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 MCHR1 273/4885GAA 3842/4885BRD4 71/4885

“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.