SCHEMBL4729320

SCHEMBL4729320

CN(C(=O)OC(C)(C)C)C1CCC(NCc2cc(OBOc3ccc(F)c(CNC4CCC(N(C)C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.37
DPP9 Q86TI2 4/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2A P28223 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
EPHX2 P34913 1/20 0.34
PIK3CD O00329 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
POLB P06746 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 0.88 RXFP1 (0.39) EPHX2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4731495 0.86 NPBWR1 (0.40) GPR119PIK3CDMEN1KMT2AKDM4E
SCHEMBL12678815 0.83 DPP4 (0.37) DPP4DPP9DPP8DPP7HTR2C
SCHEMBL4729315 0.83 GPR119 (0.42) DPP4DPP9DPP8DPP7GPR119
SCHEMBL4731867 0.80 FASN (0.36) DPP4DPP9DPP8DPP7HTR2C
SCHEMBL12678846 0.80 FASN (0.36) DPP4DPP9DPP8DPP7HTR2C
SCHEMBL12678841 0.79 DPP4 (0.34) DPP4DPP9DPP8DPP7HTR2C
SCHEMBL4729763 0.79 DPP4 (0.34) DPP4DPP9DPP8DPP7HTR2C
SCHEMBL14086359 0.78 DPP4 (0.35) DPP4DPP9DPP8DPP7HTR2C
SCHEMBL12678362 0.74 GPR119 (0.40) GPR119EPHX2MEN1KMT2AKDM4E

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-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
WO-2008057468-A1 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 DPP4 4523/4885DPP9 4037/4885DPP8 3998/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO DPP4 4523/4885DPP9 4037/4885DPP8 3998/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO DPP4 4523/4885DPP9 4037/4885DPP8 3998/4885
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 DPP4 1571/4885DPP9 2040/4885DPP8 2320/4885

“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.