SCHEMBL4502013

SCHEMBL4502013

CC(C)(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.76
AVPR1A P37288 20/20 0.76
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
SCHEMBL8234753 0.95 AVPR2 (0.69) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL8739506 0.92 AVPR2 (0.66) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL717387 0.92 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL6915176 0.92 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL414412 0.92 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19244869 0.92 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL718656 0.92 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL3919632 0.92 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL716534 0.91 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL385140 0.91 AVPR2 (0.73) AVPR2AVPR1ASLC6A2OXTROPRK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885SLC6A2 436/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885SLC6A2 436/4885

“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.