SCHEMBL3376479

SCHEMBL3376479

CN1CCN(CCOc2ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.48
HRH1 P35367 8/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
LTA4H P09960 1/20 0.46
RAB9A P51151 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3376481 1.00 HRH2 (0.48) HRH2HRH1ALDH1A1KDM4EITGB3
SCHEMBL3376486 1.00 HRH2 (0.48) HRH2HRH1ALDH1A1KDM4EITGB3
SCHEMBL3815002 0.93 PSMB1 (0.51) HRH2HRH1ALDH1A1KDM4ELTA4H
SCHEMBL4684742 0.92 PSMB1 (0.53) ALDH1A1KDM4ELTA4HMEN1KMT2A
SCHEMBL4684740 0.92 PSMB1 (0.53) ALDH1A1KDM4ELTA4HMEN1KMT2A
SCHEMBL31737696 0.92 HRH2 (0.48) HRH2HRH1ALDH1A1KDM4EITGB3
SCHEMBL3379563 0.90 ALDH1A1 (0.53) HRH2HRH1ALDH1A1KDM4ELTA4H
SCHEMBL3379568 0.90 ALDH1A1 (0.53) HRH2HRH1ALDH1A1KDM4ELTA4H
SCHEMBL3379566 0.90 ALDH1A1 (0.53) HRH2HRH1ALDH1A1KDM4ELTA4H
SCHEMBL5084989 0.85 ITGB3 (0.52) HRH2HRH1ALDH1A1KDM4EITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF HRH2 37/4885HRH1 15/4885ALDH1A1 963/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC HRH2 1693/4885HRH1 2431/4885ALDH1A1 2822/4885

“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.