SCHEMBL4731467

SCHEMBL4731467

CNC1CCC(Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2F)(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
KIF11 P52732 2/20 0.35
TACR1 P25103 1/20 0.35
SLC6A4 P31645 1/20 0.35
MCHR1 Q99705 2/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
APP P05067 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DGAT1 O75907 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CNR1 P21554 1/20 0.33
BDKRB1 P46663 1/20 0.33
F10 P00742 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL4730292 0.91 BDKRB1 (0.35) CNR1BDKRB1
SCHEMBL4728846 0.91 TACR1 (0.36) TACR1SLC6A4CNR1BDKRB1
SCHEMBL4731672 0.91 NPC1 (0.33) TACR1SLC6A4MCHR1FFAR4CNR1
SCHEMBL4734027 0.89 KIF11 (0.39) KIF11MEN1KMT2ACNR1BDKRB1
SCHEMBL4735928 0.89 BDKRB1 (0.35) KIF11CNR1BDKRB1
SCHEMBL4735935 0.89 MTNR1B (0.38) MEN1KMT2ACNR1BDKRB1
SCHEMBL4732313 0.88 KIF11 (0.38) KIF11TACR1SLC6A4MCHR1MGLL
SCHEMBL4734018 0.88 PDK2 (0.37) MEN1KMT2ACNR1BDKRB1
SCHEMBL4733336 0.88 MCHR1 (0.36) KIF11MCHR1
SCHEMBL4734146 0.87 BDKRB1 (0.31) CNR1BDKRB1

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 7 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-2008057497-A2 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 TRPA1 1904/4885KIF11 3464/4885TACR1 1166/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO TRPA1 1904/4885KIF11 3464/4885TACR1 1166/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO TRPA1 1904/4885KIF11 3464/4885TACR1 1166/4885
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 TRPA1 1293/4885KIF11 3556/4885TACR1 837/4885

“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.