SCHEMBL7901439

SCHEMBL7901439

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
HCRTR1 O43613 8/20 0.38
HCRTR2 O43614 7/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
C5AR1 P21730 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.37
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36

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
SCHEMBL389214 0.90 FFAR4 (0.42) SCN9AHCRTR1HCRTR2C5AR1HSD11B1
SCHEMBL27844879 0.85 SCN9A (0.41) SCN9AHCRTR1HCRTR2C5AR1SSTR1
SCHEMBL12056861 0.81 TNF (0.47) GAACYP2C19ALDH1A1L3MBTL1
SCHEMBL388488 0.78 SCN9A (0.37) SCN9AAVPR2AVPR1A
SCHEMBL718717 0.77 MDM2 (0.39) SCN9AHCRTR1HCRTR2HSD11B1
SCHEMBL8227969 0.76 POLB (0.49) GAACYP2C19ALDH1A1L3MBTL1
SCHEMBL8233387 0.74 NLRP3 (0.48) CYP1A2GAACYP2C19ALDH1A1L3MBTL1
SCHEMBL4511121 0.74 NPC1 (0.47) AVPR2AVPR1A
SCHEMBL8233607 0.72 RXFP1 (0.42) AVPR2AVPR1A
SCHEMBL8232452 0.72 RXFP1 (0.45) ALDH1A1L3MBTL1

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 4 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
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
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 SCN9A 3271/4885HCRTR1 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.