SCHEMBL385140

SCHEMBL385140

C[C@](NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)(C(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.73
AVPR1A P37288 20/20 0.73
SLC6A2 P23975 1/20 0.51
OXTR P30559 1/20 0.51
OPRK1 P41145 1/20 0.51
AVPR1B P47901 1/20 0.51

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
SCHEMBL460819 1.00 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL462943 1.00 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL715845 1.00 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL716534 1.00 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL10130128 0.93 AVPR2 (0.69) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL717387 0.93 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL718656 0.93 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL1441140 0.92 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL11907041 0.92 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL6915489 0.92 AVPR2 (0.71) AVPR2AVPR1A

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 12 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-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-16 US disclosed
US-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-16 US disclosed
EP-2470530-A1 HETEROCYCLIC-SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-07-04 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-2011023703-A1 HETEROCYCLIC-SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 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
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 (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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885SLC6A2 489/4885
US-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof AADAC, NAT1, TNNI3 AVPR2 1651/4885AVPR1A 2437/4885SLC6A2 2260/4885

“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.