SCHEMBL8233607

SCHEMBL8233607

O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NCc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
EPHX2 P34913 5/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2J2 P51589 3/20 0.42
AVPR2 P30518 8/20 0.41
AVPR1A P37288 8/20 0.41
TSHR P16473 1/20 0.41
F2 P00734 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
SCHEMBL8227862 0.92 AVPR2 (0.41) RXFP1AVPR2AVPR1A
SCHEMBL8234701 0.87 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL12057111 0.84 P2RX7 (0.51) AVPR2AVPR1A
SCHEMBL8235315 0.83 TP53 (0.51) RXFP1EPHX2AVPR2AVPR1A
SCHEMBL8232483 0.83 ADAMTS4 (0.41) AVPR2AVPR1A
SCHEMBL12057115 0.83 P2RX7 (0.48) AVPR2AVPR1A
SCHEMBL8232698 0.83 P2RX7 (0.46) AVPR2AVPR1A
SCHEMBL8233199 0.83 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL8234720 0.82 LMNA (0.53) RXFP1AVPR2AVPR1A
SCHEMBL8233185 0.82 CNR1 (0.48) AVPR2AVPR1ATSHR

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 RXFP1 67/4885EPHX2 4511/4885CYP2C9 3203/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B RXFP1 67/4885EPHX2 4511/4885CYP2C9 3203/4885

“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.