SCHEMBL8227243

SCHEMBL8227243

COC(=O)CCCn1c(-c2ccc(Cl)cc2)nn(CC(=O)NCCc2c(Cl)cccc2Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.47
AVPR1A P37288 11/20 0.47
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CNR1 P21554 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
SCHEMBL8233254 0.89 RXFP1 (0.49) AVPR2AVPR1ARXFP1LMNAHTT
SCHEMBL8232903 0.86 AVPR2 (0.49) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8235366 0.85 AVPR2 (0.45) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8234738 0.84 AVPR2 (0.49) AVPR2AVPR1ACNR1
SCHEMBL8237634 0.83 AVPR2 (0.47) AVPR2AVPR1ARXFP1LMNAHTT
SCHEMBL8227932 0.83 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8234576 0.82 AVPR2 (0.46) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8235944 0.82 AVPR2 (0.45) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8233569 0.82 AVPR2 (0.46) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8235930 0.81 AVPR2 (0.56) AVPR2AVPR1ALMNAHTTSMN1; SMN2

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
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 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
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 2/4885RXFP1 67/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885RXFP1 67/4885

“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.