SCHEMBL388488

SCHEMBL388488

CC(NC(=O)Cn1nc(-c2ccccc2OC(F)(F)F)n(C2CC2)c1=O)(C(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.37
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL719285 0.83 AVPR2 (0.53) AVPR2AVPR1AUSP2SMN1; SMN2MAPT
SCHEMBL12057058 0.79 USP2 (0.39) AVPR2AVPR1AUSP2SMN1; SMN2MAPT
SCHEMBL8232895 0.79 AVPR2 (0.38) AVPR2AVPR1AUSP2SMN1; SMN2TP53
SCHEMBL7901439 0.78 SCN9A (0.38) SCN9AAVPR2AVPR1A
SCHEMBL389214 0.78 FFAR4 (0.42) SCN9A
SCHEMBL8235617 0.77 EPHX2 (0.39) AVPR2AVPR1AUSP2SMN1; SMN2MAPT
SCHEMBL4511121 0.77 NPC1 (0.47) AVPR2AVPR1AUSP2MAPTTP53
SCHEMBL463144 0.76 AVPR2 (0.55) AVPR2AVPR1AUSP2SMN1; SMN2MAPT
SCHEMBL12057057 0.76 AVPR2 (0.44) AVPR2AVPR1AUSP2SMN1; SMN2MAPT
SCHEMBL12057056 0.76 AVPR2 (0.44) AVPR2AVPR1AUSP2SMN1; SMN2MAPT

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 8 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
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 SCN9A 3271/4885AVPR2 1/4885AVPR1A 3/4885

“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.