SCHEMBL84042

SCHEMBL84042

CCCCOC(=O)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMYD3 Q9H7B4 3/20 0.51
EPHX1 P07099 3/20 0.48
NAAA Q02083 2/20 0.43
ACHE P22303 6/20 0.41

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
SCHEMBL87421 1.00 GAA (0.52) GAAMAPK1HTTSMN1; SMN2SMYD3
SCHEMBL23901023 0.94 GAA (0.60) GAAMAPK1HTTSMN1; SMN2SMYD3
SCHEMBL4719490 0.92 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL13387564 0.92 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL30827617 0.91 GAA (0.50) GAAMAPK1HTTSMN1; SMN2SMYD3
SCHEMBL16526220 0.86 GAA (0.66) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL23199587 0.85 GAA (0.50) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL8260235 0.85 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL8259162 0.85 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL2575225 0.85 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
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-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-20080207740-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) 2008-08-28 US disclosed
US-20080207740-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) 2008-08-28 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-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
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
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US 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
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US 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 (7 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 GAA 3561/4885MAPK1 1356/4885HTT 3233/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX GAA 1196/4885MAPK1 1875/4885HTT 2734/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO GAA 3561/4885MAPK1 1356/4885HTT 3233/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GAA 3561/4885MAPK1 1356/4885HTT 3233/4885
US-20080207740-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 GAA 3972/4885MAPK1 856/4885HTT 119/4885
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 GAA 3842/4885MAPK1 1068/4885HTT 262/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GAA 3845/4885MAPK1 870/4885HTT 2289/4885

“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.