SCHEMBL4733544

SCHEMBL4733544

CNC1CCC(Cc2cc(-c3cncc(F)c3)ccc2OC)(C(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.39
ABL1 P00519 2/20 0.39
GSK3B P49841 3/20 0.37
KCNH2 Q12809 2/20 0.35
BACE1 P56817 3/20 0.35
APP P05067 1/20 0.35
WNT1 P04628 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
Hydrochloric Acid SCHEMBL4731946 0.88 TACR1 (0.40) DYRK1AABL1BACE1WNT1
Hydrochloric Acid SCHEMBL4783964 0.88 HTR2C (0.40) ABL1
SCHEMBL4731161 0.87 PDE4B (0.40) DYRK1AABL1GSK3BKCNH2GRIN2B
SCHEMBL4896277 0.86 TACR1 (0.40) GSK3B
Hydrochloric Acid SCHEMBL4732440 0.85 MKNK1 (0.47) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4732760 0.85 TACR1 (0.39) GSK3B
SCHEMBL4734543 0.84 GSK3B (0.36) ABL1GSK3BKCNH2
SCHEMBL4730306 0.84 ROCK1 (0.39) DYRK1AABL1GSK3BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4730959 0.83 PDE4A (0.38) ABL1GSK3BGRIN2B
Hydrochloric Acid SCHEMBL4732641 0.83 HTR2C (0.39)

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 10 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-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
WO-2008057468-A1 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
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 (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 DYRK1A 1749/4885ABL1 899/4885GSK3B 657/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX DYRK1A 3950/4885ABL1 1097/4885GSK3B 527/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO DYRK1A 1749/4885ABL1 899/4885GSK3B 657/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO DYRK1A 1749/4885ABL1 899/4885GSK3B 657/4885
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 DYRK1A 1661/4885ABL1 2211/4885GSK3B 524/4885

“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.