SCHEMBL4734544

SCHEMBL4734544

COc1ccccc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1.OBO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CACNA1B Q00975 1/20 0.41
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4731482 0.90 MEN1 (0.42) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4729315 0.86 GPR119 (0.42) MEN1KMT2AALDH1A1KDM4E
SCHEMBL12690162 0.85 MEN1 (0.39) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12678390 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4733141 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12678681 0.84 MEN1 (0.48) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4734550 0.83 RXFP1 (0.39) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12678325 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12678362 0.81 GPR119 (0.40) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12690141 0.81 MAPT (0.39) MEN1KMT2AALDH1A1GAALMNA

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-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

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.