SCHEMBL5453066

SCHEMBL5453066

CCCCC(N)c1ccc(C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
CA2 P00918 2/20 0.40
LMNA P02545 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL5451855 1.00 SLC2A1 (0.45) SLC2A1CA2LMNAKMT2AMEN1
SCHEMBL5457863 0.90 LMNA (0.39) SLC2A1LMNAKMT2AMEN1OPRM1
SCHEMBL9350707 0.78 SLC2A1 (0.59) SLC2A1CA2OPRM1ALDH1A1
SCHEMBL14981098 0.77 ANPEP (0.41) LMNAKMT2AMEN1OPRM1OPRD1
SCHEMBL5407290 0.77 AKR1C3 (0.41) LMNAKMT2AMEN1OPRM1OPRD1
SCHEMBL24262071 0.77 AKR1C3 (0.41) LMNAKMT2AMEN1OPRM1OPRD1
SCHEMBL1728650 0.77 SLC2A1 (0.51) SLC2A1CA2
SCHEMBL5448531 0.77 SLC2A1 (0.51) SLC2A1CA2
SCHEMBL1729608 0.77 SLC2A1 (0.51) SLC2A1CA2
SCHEMBL24222041 0.76 OPRL1 (0.43) LMNAKMT2AMEN1OPRM1OPRD1

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 3178/4885CA2 2703/4885LMNA 4796/4885

“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.