SCHEMBL4730384

SCHEMBL4730384

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.40
TACR1 P25103 4/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CFTR P13569 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4735023 0.92 TACR1 (0.44) KMT2AMEN1POLBTACR1KDM4E
SCHEMBL4735239 0.91 RXFP1 (0.42) KMT2AMEN1TACR1KDM4EGAA
SCHEMBL4729637 0.89 MEN1 (0.46) KMT2AMEN1TACR1KDM4EGAA
SCHEMBL12678373 0.88 CACNB4 (0.37) KMT2AMEN1POLBTACR1KDM4E
SCHEMBL4785168 0.88 CYP1A2 (0.43) KMT2AMEN1TACR1KDM4EGAA
SCHEMBL4732930 0.88 PDE4A (0.50) KMT2AMEN1TACR1KDM4EGAA
SCHEMBL4732157 0.88 PPARA (0.43) KMT2AMEN1TACR1KDM4EGAA
SCHEMBL4734348 0.87 TACR1 (0.37) KMT2AMEN1POLBTACR1KDM4E
SCHEMBL4734013 0.87 CHEK1 (0.46) KMT2AMEN1TACR1KDM4EGAA
SCHEMBL4784439 0.87 TACR1 (0.44) KMT2AMEN1TACR1KDM4EGAA

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-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-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
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 (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 KMT2A 692/4885MEN1 2815/4885POLB 2970/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX KMT2A 3074/4885MEN1 594/4885POLB 140/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO KMT2A 692/4885MEN1 2815/4885POLB 2970/4885
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 KMT2A 858/4885MEN1 3071/4885POLB 2138/4885

“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.