SCHEMBL5469848

SCHEMBL5469848

COCc1ccc([C@@H](N)COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
IDO1 P14902 4/20 0.42
TACR1 P25103 8/20 0.41
SCN4A P35499 5/20 0.37
AGXT P21549 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 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
SCHEMBL5460913 1.00 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1TACR1
SCHEMBL27482181 0.84 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1TACR1
SCHEMBL5450360 0.84 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19IDO1TACR1
SCHEMBL8667494 0.82 ESR1 (0.43) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL8470594 0.82 ESR1 (0.43) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL4533995 0.81 IDO1 (0.47) CYP1A2CYP2D6CYP2C19IDO1AGXT
SCHEMBL5458263 0.81 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19IDO1TACR1
SCHEMBL5455498 0.81 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19IDO1TACR1
Hydrochloric Acid SCHEMBL17220823 0.80 ALOX15 (0.44) CYP1A2CYP2D6CYP2C19IDO1TACR1
SCHEMBL13877377 0.79 IDO1 (0.50) CYP1A2CYP2D6CYP2C19IDO1AGXT

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 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.