SCHEMBL389214

SCHEMBL389214

O=C(O)Cn1nc(-c2ccccc2OC(F)(F)F)n(C2CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
SCN9A Q15858 4/20 0.38
MME P08473 1/20 0.38
CTSA P10619 2/20 0.38
C5AR1 P21730 1/20 0.38
FFAR1 O14842 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL7901439 0.90 SCN9A (0.38) HCRTR1HCRTR2SCN9AC5AR1HSD11B1
SCHEMBL27844879 0.86 SCN9A (0.41) HCRTR1HCRTR2SCN9AC5AR1HSD11B1
SCHEMBL4494731 0.85 TP53 (0.43) HSD11B1
SCHEMBL8232452 0.82 RXFP1 (0.45)
SCHEMBL718717 0.80 MDM2 (0.39) HCRTR1HCRTR2SCN9AMMECTSA
SCHEMBL8232810 0.79 AVPR2 (0.41)
SCHEMBL388488 0.78 SCN9A (0.37) SCN9A
SCHEMBL12056861 0.76 TNF (0.47)
SCHEMBL8232374 0.75 PTGDR2 (0.38)
SCHEMBL8227969 0.72 POLB (0.49)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408754-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN RECEPTOR FOR THE TREATMENT OF CARDIAC INSUFFICIENCY BAYER IP GMBH (DE) 2013-10-09 EP disclosed
EP-2408754-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN RECEPTOR FOR THE TREATMENT OF CARDIAC INSUFFICIENCY BAYER IP GMBH (DE) 2013-10-09 EP disclosed
CN-102369190-A Triazole derivatives as vasopressin-receptor inhibitors for treating cardiac insufficiency BAYER SCHERING PHARMA AG 2012-03-07 CN disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
EP-2408754-A1 Triazole derivatives as vasopressin-receptor inhibitors for treating cardiac insufficiency Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
WO-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A FFAR4 2178/4885HCRTR1 835/4885HCRTR2 671/4885

“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.