SCHEMBL5458263

SCHEMBL5458263

CCCC(N)c1ccc(COC)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC2A1 P11166 1/20 0.41
IDO1 P14902 4/20 0.40
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AGXT P21549 2/20 0.33
ADRB3 P13945 1/20 0.33
TACR1 P25103 2/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL5455498 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19SLC2A1IDO1
SCHEMBL5451819 0.89 SLC2A1 (0.50) CYP1A2CYP2D6CYP2C19SLC2A1IDO1
SCHEMBL23222166 0.82 SLC2A1 (0.48) CYP1A2CYP2D6CYP2C19SLC2A1ESR2
SCHEMBL5469848 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1AGXT
SCHEMBL5460913 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1AGXT
SCHEMBL27523204 0.79 SLC2A1 (0.41) CYP1A2CYP2D6CYP2C19SLC2A1ESR2
SCHEMBL27523203 0.79 SLC2A1 (0.41) CYP1A2CYP2D6CYP2C19SLC2A1ESR2
SCHEMBL4533995 0.78 IDO1 (0.47) CYP1A2CYP2D6CYP2C19IDO1ESR2
SCHEMBL12065291 0.77 SLC2A1 (0.40) CYP1A2CYP2D6CYP2C19SLC2A1IDO1
SCHEMBL13115768 0.77 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19SLC2A1ESR2

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 8 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
CN-1167692-C Aminothiazole derivatives and their use as CRF receptor ligands ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-09-22 CN 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
CN-1370154-A Aminothiazole derivatives and their use as CRF receptor ligands SANOFI SYNTHELABO (FR) 2002-09-18 CN 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 CYP1A2 3410/4885CYP2D6 3094/4885CYP2C19 1620/4885

“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.