SCHEMBL4731495

SCHEMBL4731495

CCOc1ccc(OBOc2ccc(OCC)c(CNC3CCC(N(C)C(=O)OC(C)(C)C)CC3)c2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
TACR1 P25103 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
PIK3CD O00329 1/20 0.33
AHCY P23526 4/20 0.33
SCN9A Q15858 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ABL1 P00519 1/20 0.32
POLB P06746 1/20 0.32
RIN1 Q13671 1/20 0.32
HTT P42858 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4D Q6B0I6 1/20 0.32

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
SCHEMBL4734550 0.91 RXFP1 (0.39) TACR1MEN1KMT2AHTTKDM4E
SCHEMBL4729320 0.86 DPP4 (0.37) GPR119PIK3CDMEN1KMT2APOLB
SCHEMBL12678335 0.84 NPBWR1 (0.41) NPBWR1MCHR1TACR1GPR119PIK3CD
SCHEMBL4731482 0.84 MEN1 (0.42) NPBWR1MCHR1TACR1MEN1KMT2A
SCHEMBL14202393 0.84 NPBWR1 (0.40) NPBWR1MCHR1TACR1GPR119PIK3CD
SCHEMBL12690573 0.82 NPBWR1 (0.39) NPBWR1MCHR1GPR119PIK3CDSCN9A
SCHEMBL12678417 0.81 NPBWR1 (0.38) NPBWR1MCHR1GPR119PIK3CDSCN9A
SCHEMBL12678379 0.81 NPBWR1 (0.38) NPBWR1MCHR1GPR119PIK3CDSCN9A
SCHEMBL12680480 0.81 GPR119 (0.40) NPBWR1MCHR1GPR119
SCHEMBL12678471 0.79 PPARD (0.38) NPBWR1MCHR1GPR119SCN9A

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 10 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-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
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (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 (5 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 1785/4885TACR1 1166/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX NPBWR1 3551/4885MCHR1 3557/4885TACR1 1194/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO NPBWR1 2518/4885MCHR1 1785/4885TACR1 1166/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO NPBWR1 2518/4885MCHR1 1785/4885TACR1 1166/4885
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 273/4885TACR1 837/4885

“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.