SCHEMBL387689

SCHEMBL387689

O=c1[nH]nc(-c2ccccc2OC(F)(F)F)n1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
HSD11B1 P28845 2/20 0.41
POLB P06746 2/20 0.40
PLAT P00750 2/20 0.40
SCN9A Q15858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPA1 O75762 1/20 0.40
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
AKR1C3 P42330 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
SCHEMBL4510957 0.79 RXFP1 (0.70) RXFP1POLB
SCHEMBL3990365 0.76 RXFP1 (0.48) RXFP1HSD11B1POLBL3MBTL1
SCHEMBL389214 0.72 FFAR4 (0.42) HSD11B1SCN9AHCRTR1HCRTR2
SCHEMBL16827864 0.72 RXFP1 (0.60) RXFP1POLBPLAT
SCHEMBL3985957 0.71 RXFP1 (0.49) RXFP1
SCHEMBL27844879 0.70 SCN9A (0.41) HSD11B1SCN9AHCRTR1HCRTR2L3MBTL1
SCHEMBL718717 0.70 MDM2 (0.39) HSD11B1SCN9AHCRTR1HCRTR2
SCHEMBL8227786 0.70 ALDH1A1 (0.41) RXFP1NPSR1
SCHEMBL7901439 0.69 SCN9A (0.38) HSD11B1SCN9AHCRTR1HCRTR2L3MBTL1
SCHEMBL27643619 0.68 S1PR1 (0.41) HSD11B1SCN9AHCRTR1HCRTR2L3MBTL1

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
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 RXFP1 45/4885HSD11B1 874/4885POLB 4384/4885

“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.