SCHEMBL4732365

SCHEMBL4732365

CCOc1ccc(-c2ccc(C#N)cc2)cc1CNC1CCC(CNC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
PTGER4 P35408 1/20 0.40
KDM1A O60341 4/20 0.39
EGLN2 Q96KS0 2/20 0.39
CHEK1 O14757 1/20 0.39
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CTSA P10619 1/20 0.36
PPARD Q03181 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
MAPK14 Q16539 1/20 0.36
ESR1 P03372 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL4733667 0.92 MCHR1 (0.40) NPBWR1MCHR1CTSA
SCHEMBL4734011 0.91 CHEK1 (0.45) PTGER4KDM1AEGLN2CHEK1KDM4E
SCHEMBL4732368 0.84 MCHR1 (0.41) NPBWR1MCHR1PTGER4KDM1AEGLN2
SCHEMBL4730038 0.84 NPBWR1 (0.41) NPBWR1MCHR1PPARDDGAT2MAPK14
SCHEMBL12542233 0.84 NPBWR1 (0.38) NPBWR1MCHR1PTGER4KDM1AEGLN2
SCHEMBL4891589 0.83 PPARD (0.43) NPBWR1MCHR1PPARDMAPK14
SCHEMBL4731664 0.83 CTSA (0.42) MCHR1CHEK1CTSAPPARDMAPK14
Hydrochloric Acid SCHEMBL4733650 0.82 NPBWR1 (0.46) NPBWR1MCHR1KDM1AEGLN2CHEK1
SCHEMBL12542231 0.81 NPBWR1 (0.38) NPBWR1MCHR1PTGER4KDM1AEGLN2
SCHEMBL12542234 0.80 NPBWR1 (0.38) NPBWR1MCHR1KDM1AEGLN2CHEK1

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 9 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-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057468-A1 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
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 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 NPBWR1 2518/4885MCHR1 1785/4885PTGER4 4194/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX NPBWR1 3551/4885MCHR1 3557/4885PTGER4 3681/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO NPBWR1 2518/4885MCHR1 1785/4885PTGER4 4194/4885
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 NPBWR1 500/4885MCHR1 273/4885PTGER4 929/4885

“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.