SCHEMBL4729637

SCHEMBL4729637

COc1ccc(-c2ccc(C(C)=O)cc2)cc1CNC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.43
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
TACR1 P25103 3/20 0.40
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B1 P14061 1/20 0.38

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
SCHEMBL14202391 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL4733705 0.91 PPARG (0.45) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL4732930 0.91 PDE4A (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4785168 0.91 CYP1A2 (0.43) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL4735023 0.91 TACR1 (0.44) MEN1KMT2AALDH1A1TACR1PPARG
SCHEMBL4735239 0.90 RXFP1 (0.42) MEN1KMT2AALDH1A1TACR1PPARG
SCHEMBL4730384 0.89 KMT2A (0.40) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL12678353 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL4733142 0.88 PDE4A (0.39) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4734348 0.88 TACR1 (0.37) MEN1KMT2AALDH1A1PDE4APDE4B

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-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
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 MEN1 2815/4885KMT2A 692/4885ALDH1A1 1638/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MEN1 594/4885KMT2A 3074/4885ALDH1A1 1315/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO MEN1 2815/4885KMT2A 692/4885ALDH1A1 1638/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MEN1 2815/4885KMT2A 692/4885ALDH1A1 1638/4885
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 MEN1 3071/4885KMT2A 858/4885ALDH1A1 2463/4885

“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.