SCHEMBL1546601

SCHEMBL1546601

COC(=O)[C@@H]1CNCCN1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 1/20 0.39
MMP1 P03956 3/20 0.37
MMP9 P14780 3/20 0.37
MMP13 P45452 3/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.36
MMP2 P08253 2/20 0.34
ANPEP P15144 2/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1546602 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30275098 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL29284073 0.98 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL17560384 0.98 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28758669 0.89 MMP1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27648011 0.87 MMP1 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tert-Butyl Formate SCHEMBL28060583 0.85 TDP1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27286359 0.84 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3MMP1MMP9
SCHEMBL27648013 0.84 MEN1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30499002 0.81 TSHR (0.31) CHRNB2CHRNA4CHRNA3MMP1MMP9

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
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
EP-1960368-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
EP-1322596-B1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-15 EP disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 US disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 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 (2 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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R CHRNB2 362/4885CHRNA4 225/4885CHRNB4 330/4885
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRNB2 4797/4885CHRNA4 2944/4885CHRNB4 3996/4885

“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.