SCHEMBL4512758

SCHEMBL4512758

O=C(Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.54
AVPR1A P37288 17/20 0.54
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42

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
SCHEMBL4499297 1.00 AVPR2 (0.54) AVPR2AVPR1ANR1H2NR1H3ITGB1
SCHEMBL12057088 0.92 AVPR2 (0.54) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL8237210 0.92 AVPR2 (0.52) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL8237239 0.91 AVPR2 (0.52) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL8227362 0.85 AVPR2 (0.60) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL19244833 0.85 AVPR2 (0.59) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL19244834 0.84 AVPR2 (0.61) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL4513232 0.84 AVPR2 (0.59) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL8235588 0.84 AVPR2 (0.59) AVPR2AVPR1ANR1H2NR1H3
SCHEMBL4489563 0.83 AVPR2 (0.61) AVPR2AVPR1ANR1H2NR1H3

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 4 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
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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US 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 2/4885NR1H2 1534/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885NR1H2 1534/4885

“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.