SCHEMBL4731491

SCHEMBL4731491

CCOc1ccc(B(O)O)cc1CNC1CCC(NCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
KMT2A Q03164 8/20 0.34
MEN1 O00255 7/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ABL1 P00519 1/20 0.33
POLB P06746 1/20 0.33
RIN1 Q13671 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 2/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TACR1 P25103 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SSTR4 P31391 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
SCHEMBL4734547 0.90 MEN1 (0.39) KMT2AMEN1HTTPOLBTACR1
SCHEMBL12678335 0.85 NPBWR1 (0.41) NPBWR1MCHR1KMT2AMEN1HTT
SCHEMBL4729318 0.85 GPR119 (0.35) L3MBTL1
SCHEMBL14202393 0.78 NPBWR1 (0.40) NPBWR1MCHR1KMT2AMEN1HTT
SCHEMBL4733145 0.78 MEN1 (0.39) KMT2AMEN1HTTPOLBTACR1
SCHEMBL12678687 0.78 GAA (0.40) KMT2AMEN1HTTL3MBTL1KDM4E
SCHEMBL4731587 0.76 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL12678325 0.74 MEN1 (0.37) KMT2AMEN1HTTPOLBTACR1
SCHEMBL30933830 0.73 MAPK8 (0.45) NPBWR1MCHR1KMT2ASMN1; SMN2POLB
SCHEMBL7380787 0.71 EPHX1 (0.38) KMT2AMEN1L3MBTL1GAATSHR

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 1785/4885KMT2A 692/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX NPBWR1 3551/4885MCHR1 3557/4885KMT2A 3074/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO NPBWR1 2518/4885MCHR1 1785/4885KMT2A 692/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO NPBWR1 2518/4885MCHR1 1785/4885KMT2A 692/4885
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 273/4885KMT2A 858/4885

“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.