SCHEMBL4733618

SCHEMBL4733618

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
LIPG Q9Y5X9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
BDKRB1 P46663 2/20 0.31
CNR1 P21554 1/20 0.31
MELK Q14680 1/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL4732299 0.89 CNR1 (0.31) BDKRB1CNR1
SCHEMBL4734027 0.87 KIF11 (0.39) BDKRB1CNR1MELK
SCHEMBL4731672 0.87 NPC1 (0.33) MAPTBDKRB1CNR1
SCHEMBL4730292 0.87 BDKRB1 (0.35) BDKRB1CNR1MELK
SCHEMBL4728846 0.87 TACR1 (0.36) BDKRB1CNR1
SCHEMBL4731467 0.86 TRPA1 (0.36) BDKRB1CNR1
SCHEMBL4734018 0.85 PDK2 (0.37) SMN1; SMN2BDKRB1CNR1FASN
SCHEMBL4735928 0.85 BDKRB1 (0.35) BDKRB1CNR1
SCHEMBL4735935 0.84 MTNR1B (0.38) BDKRB1CNR1
SCHEMBL4733336 0.84 MCHR1 (0.36)

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-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-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (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-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 (3 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 MAPT 4623/4885LIPG 3074/4885SMN1; SMN2 3725/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MAPT 4623/4885LIPG 3074/4885SMN1; SMN2 3725/4885
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 MAPT 398/4885LIPG 2332/4885SMN1; SMN2 2898/4885

“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.