SCHEMBL5459987

SCHEMBL5459987

N[C@@H](CC1CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPK9 P45984 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.41
ACHE P22303 2/20 0.39
EDNRA P25101 2/20 0.39
SMAD3 P84022 1/20 0.38

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
SCHEMBL6564036 1.00 SLC6A4 (0.46) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL11661953 0.80 SLC6A4 (0.51) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL12261523 0.78 TAAR1 (0.51) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL15262576 0.78 CYP3A4 (0.51) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL15262580 0.78 CYP3A4 (0.51) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL13144655 0.78 TAAR1 (0.51) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL12261666 0.78 TAAR1 (0.51) SLC6A4TAAR1SLC6A2SLC6A3MAPK9
SCHEMBL7420094 0.75 TAS1R3 (0.50) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
SCHEMBL5469966 0.75 TAS1R3 (0.50) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4
SCHEMBL20789018 0.75 AOC3 (0.51) SLC6A4TAAR1SLC6A2SLC6A3CYP3A4

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
US-6806282-B2 HAVE AN ANTAGONISTIC ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING FACTOR SANOFI-SYNTHELABO (FR) 2004-10-19 US 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
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

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 SLC6A4 175/4885TAAR1 42/4885SLC6A2 232/4885
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 SLC6A4 336/4885TAAR1 18/4885SLC6A2 404/4885

“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.