SCHEMBL5451819

SCHEMBL5451819

CCCC[C@H](N)c1ccc(COC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA2 P00918 3/20 0.38
IDO1 P14902 2/20 0.38
BDKRB2 P30411 1/20 0.36
RET P07949 1/20 0.34
ESR2 Q92731 2/20 0.34
ESR1 P03372 1/20 0.34
HTR2A P28223 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA1 P00915 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
SCHEMBL5458263 0.89 CYP1A2 (0.44) SLC2A1CYP1A2CYP2D6CYP2C19CA2
SCHEMBL5455498 0.89 CYP1A2 (0.44) SLC2A1CYP1A2CYP2D6CYP2C19CA2
SCHEMBL9350707 0.83 SLC2A1 (0.59) SLC2A1CYP1A2CYP2D6CYP2C19CA2
SCHEMBL5469848 0.78 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL5460913 0.78 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL3975453 0.78 SLC2A1 (0.51) SLC2A1CYP1A2CYP2D6CYP2C19CA2
SCHEMBL9439909 0.76 SLC2A1 (0.53) SLC2A1CYP1A2CYP2C19CA2BDKRB2
SCHEMBL4533995 0.75 IDO1 (0.47) CYP1A2CYP2D6CYP2C19IDO1ESR2
SCHEMBL1729608 0.74 SLC2A1 (0.51) SLC2A1CA2IDO1SLC6A4
SCHEMBL4985324 0.74 SLC2A1 (0.51) SLC2A1CA2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 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 (1 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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 SLC2A1 3178/4885CYP1A2 3410/4885CYP2D6 3094/4885

“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.