SCHEMBL8233647

SCHEMBL8233647

COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.60
AVPR1A P37288 7/20 0.60
GPR139 Q6DWJ6 12/20 0.42
IL1B P01584 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL10129711 0.86 AVPR2 (0.56) AVPR2AVPR1AGPR139IL1BP2RX7
SCHEMBL807717 0.86 AVPR2 (0.56) AVPR2AVPR1AGPR139IL1BP2RX7
SCHEMBL793675 0.86 AVPR2 (0.56) AVPR2AVPR1AGPR139IL1BP2RX7
SCHEMBL8232910 0.86 AVPR2 (0.58) AVPR2AVPR1A
Bicarbonate SCHEMBL17923256 0.85 AVPR2 (0.53) AVPR2AVPR1AGPR139IL1BP2RX7
SCHEMBL8232911 0.85 AVPR2 (0.75) AVPR2AVPR1AGPR139
SCHEMBL8227237 0.85 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8235470 0.85 AVPR2 (0.61) AVPR2AVPR1AGPR139
SCHEMBL8232890 0.85 AVPR2 (0.61) AVPR2AVPR1AGPR139
SCHEMBL807408 0.85 AVPR2 (0.53) AVPR2AVPR1AGPR139IL1BP2RX7

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 7 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-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
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 2/4885GPR139 558/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885GPR139 558/4885

“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.