SCHEMBL256773

SCHEMBL256773

CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 1.00
AVPR1A P37288 20/20 1.00
SLC6A2 P23975 1/20 0.44
OXTR P30559 1/20 0.44
OPRK1 P41145 1/20 0.44
AVPR1B P47901 1/20 0.44

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
SCHEMBL255943 0.91 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL16673851 0.88 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL10217657 0.85 AVPR2 (0.75) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL16673951 0.85 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL256000 0.84 AVPR2 (0.80) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL15207350 0.84 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL257279 0.84 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL410542 0.83 AVPR2 (0.76) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL256954 0.83 AVPR2 (0.82) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL256002 0.83 AVPR2 (0.81) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT AVPR2 2657/4885AVPR1A 2960/4885SLC6A2 434/4885

“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.