SCHEMBL4734348

SCHEMBL4734348

COc1ccc(-c2ccc(N(C)C(C)=O)cc2)cc1CNC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
AHR P35869 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FASN P49327 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4784845 0.90 NPBWR1 (0.41) MEN1KMT2APOLBHTTFASN
SCHEMBL12678453 0.89 MEN1 (0.36) TACR1MEN1KMT2AKDM4EPOLB
SCHEMBL4735023 0.89 TACR1 (0.44) TACR1MEN1KMT2AKDM4EPOLB
SCHEMBL4729637 0.88 MEN1 (0.46) TACR1MEN1KMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL4734121 0.88 MEN1 (0.39) TACR1MEN1KMT2AKDM4EPOLB
SCHEMBL4735239 0.88 RXFP1 (0.42) TACR1MEN1KMT2AKDM4EHTT
SCHEMBL4731291 0.87 TACR1 (0.37) TACR1MEN1KMT2AKDM4EPOLB
SCHEMBL12541568 0.87 TACR1 (0.35) TACR1MEN1KMT2AKDM4EPOLB
SCHEMBL4730384 0.87 KMT2A (0.40) TACR1MEN1KMT2AKDM4EPOLB
SCHEMBL4732157 0.85 PPARA (0.43) TACR1MEN1KMT2AKDM4EHTT

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
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 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 (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 TACR1 1166/4885MEN1 2815/4885KMT2A 692/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX TACR1 1194/4885MEN1 594/4885KMT2A 3074/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO TACR1 1166/4885MEN1 2815/4885KMT2A 692/4885
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 TACR1 837/4885MEN1 3071/4885KMT2A 858/4885

“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.