SCHEMBL4732455

SCHEMBL4732455

COc1ccc(-c2ccnc(C)c2)cc1CNC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.41
TACR1 P25103 5/20 0.41
WDR5 P61964 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MTOR P42345 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DYRK1A Q13627 1/20 0.37
ABL1 P00519 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4784062 0.90 MTOR (0.40) TACR1MTORMEN1KMT2AKDM4E
SCHEMBL4733168 0.89 IRAK4 (0.41) TACR1MTORMEN1KMT2AKDM4E
SCHEMBL12678432 0.89 WNT3A (0.38) WNT3ATACR1WDR5CYP3A4CYP2D6
SCHEMBL12541277 0.86 TACR1 (0.38) WNT3ATACR1WDR5CYP3A4CYP2D6
SCHEMBL4735023 0.86 TACR1 (0.44) TACR1MEN1KMT2AKDM4EGAA
SCHEMBL4735239 0.85 RXFP1 (0.42) TACR1MEN1KMT2AKDM4EGAA
SCHEMBL4731635 0.85 IRAK4 (0.41) TACR1MTORMEN1KMT2AABL1
SCHEMBL4732454 0.85 MAPK14 (0.43) WNT3ATACR1WDR5MTORMEN1
SCHEMBL4730384 0.84 KMT2A (0.40) TACR1MEN1KMT2AKDM4EGAA
SCHEMBL4731822 0.84 MKNK1 (0.43) TACR1CYP3A4CYP2D6DYRK1AKDM4E

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 9 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-2008057468-A1 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 WNT3A 121/4885TACR1 1166/4885WDR5 2788/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX WNT3A 1502/4885TACR1 1194/4885WDR5 4563/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO WNT3A 121/4885TACR1 1166/4885WDR5 2788/4885
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 WNT3A 170/4885TACR1 837/4885WDR5 2013/4885

“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.