SCHEMBL4730905

SCHEMBL4730905

CCOc1ccc(-c2ccc(C(O)(O)C(F)(F)F)cc2)cc1CNC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.42
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
PPARA Q07869 12/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SCN9A Q15858 1/20 0.37
PPARG P37231 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12680623 0.91 PPARD (0.38) PPARDNPBWR1MCHR1PPARARXRA
SCHEMBL12678471 0.91 PPARD (0.38) PPARDNPBWR1MCHR1PPARARXRA
SCHEMBL14154420 0.89 PPARD (0.37) PPARDNPBWR1MCHR1PPARARXRA
SCHEMBL12540738 0.88 PPARD (0.40) PPARDNPBWR1MCHR1PPARARXRA
SCHEMBL4891589 0.85 PPARD (0.43) PPARDNPBWR1MCHR1PPARARXRA
SCHEMBL12540735 0.84 PPARD (0.38) PPARDNPBWR1MCHR1PPARARXRA
SCHEMBL4732157 0.83 PPARA (0.43) PPARDMCHR1PPARASCN9APPARG
SCHEMBL4732368 0.83 MCHR1 (0.41) NPBWR1MCHR1
SCHEMBL4784845 0.83 NPBWR1 (0.41) PPARDNPBWR1MCHR1RXRARXRB
SCHEMBL12540734 0.82 PPARD (0.40) PPARDNPBWR1MCHR1PPARARXRA

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-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
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 PPARD 1379/4885NPBWR1 2518/4885MCHR1 1785/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX PPARD 630/4885NPBWR1 3551/4885MCHR1 3557/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO PPARD 1379/4885NPBWR1 2518/4885MCHR1 1785/4885
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 PPARD 345/4885NPBWR1 500/4885MCHR1 273/4885

“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.