SCHEMBL5455820

SCHEMBL5455820

N[C@@H](CC1CC1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
KCNH2 Q12809 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
DPP4 P27487 1/20 0.37
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL6542877 1.00 SLC6A2 (0.39) SLC6A2KCNH2IDO1TDO2DPP4
SCHEMBL6614694 0.92 DPEP1 (0.38) IDO1TDO2DPP4
SCHEMBL5458322 0.81 SLC6A3 (0.39) SLC6A2KCNH2SLC6A4SLC6A3
SCHEMBL5463403 0.80 SLC6A4 (0.44) SLC6A2IDO1TDO2SLC6A4SLC6A3
SCHEMBL5453564 0.80 METAP2 (0.38) SLC6A4
SCHEMBL5453640 0.80 DPP4 (0.40) SLC6A2DPP4SLC6A4SLC6A3
SCHEMBL3061093 0.79 SCN4A (0.44) IDO1DPP4
SCHEMBL6854233 0.79 SCN4A (0.44) IDO1DPP4
SCHEMBL5455701 0.79 SCN4A (0.44) IDO1DPP4
SCHEMBL20289744 0.77 TSHR (0.41) IDO1TDO2SLC6A4

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 13 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-1293061-C Novel branched substituted amino derivatives of 3-amino-1-phenyl-1H- [1,2,4] triazole, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-03 CN disclosed
US-6806282-B2 HAVE AN ANTAGONISTIC ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING FACTOR SANOFI-SYNTHELABO (FR) 2004-10-19 US disclosed
EP-1242389-B1 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2004-04-21 EP disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-20030162771-A1 Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them SANOFI (FR) 2003-08-28 US disclosed
CN-1434808-A Novel branched substituted amino derivatives of 3-amino-1-phemyl-1H[1,2,4]triazo, methods for producing them and pharmaceutica compositions containing them SANOFI SYNTHELABO (FR) 2003-08-06 CN 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-1242389-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001044207-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO 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 (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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 SLC6A2 232/4885KCNH2 4628/4885IDO1 3043/4885
US-20030162771-A1 Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them CRHR1, ADRA2C, NPY1R SLC6A2 404/4885KCNH2 799/4885IDO1 1333/4885

“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.