SCHEMBL409585

SCHEMBL409585

CC(C(=O)O)n1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.47
AVPR1A P37288 15/20 0.47
CNR1 P21554 1/20 0.37
SLC5A2 P31639 1/20 0.36
SLC6A2 P23975 1/20 0.36
OXTR P30559 1/20 0.36
OPRK1 P41145 1/20 0.36
AVPR1B P47901 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL716223 0.83 AVPR2 (0.54) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL717597 0.83 AVPR2 (0.54) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL719977 0.83 AVPR2 (0.54) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL4507074 0.81 CNR1 (0.39) AVPR2AVPR1ACNR1KDM4E
SCHEMBL4502826 0.80 ALDH1A1 (0.43) AVPR2AVPR1ACNR1KDM4E
SCHEMBL413351 0.79 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL4509966 0.78 AVPR2 (0.51) AVPR2AVPR1ACNR1
SCHEMBL28812646 0.76 AVPR2 (0.46) AVPR2AVPR1ACNR1SLC5A2
SCHEMBL716772 0.76 KDM4E (0.35) AVPR2AVPR1ACNR1KDM4E
SCHEMBL716773 0.76 KDM4E (0.35) AVPR2AVPR1ACNR1KDM4E

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
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF 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-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 AVPR2 3835/4885AVPR1A 3944/4885CNR1 3265/4885

“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.