SCHEMBL8237169

SCHEMBL8237169

CC(C)Cn1c(-c2ccc(Br)cc2)nn(CC(=O)NCc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.54
AVPR1A P37288 8/20 0.54
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MLYCD O95822 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
SCHEMBL8233516 0.92 AVPR2 (0.50) AVPR2AVPR1AMAPTPOLBTSHR
SCHEMBL8235329 0.87 AVPR2 (0.46) AVPR2AVPR1AMAPTPOLBTSHR
SCHEMBL8234727 0.86 AVPR2 (0.49) AVPR2AVPR1AMAPTPOLBTSHR
SCHEMBL4500537 0.86 AVPR2 (0.65) AVPR2AVPR1ATP53
SCHEMBL8233286 0.86 AVPR2 (0.63) AVPR2AVPR1ATP53
SCHEMBL8234539 0.86 AVPR2 (0.51) AVPR2AVPR1AMAPTPOLBTSHR
SCHEMBL8235918 0.84 AVPR2 (0.50) AVPR2AVPR1AMAPTPOLBTSHR
SCHEMBL8233400 0.84 NPC1 (0.50) AVPR2AVPR1AMAPTPOLBTSHR
SCHEMBL8235956 0.83 AVPR2 (0.61) AVPR2AVPR1AMAPTTP53
SCHEMBL8234682 0.83 AVPR2 (0.51) AVPR2AVPR1AMAPTPOLBTSHR

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 2/4885MAPT 4794/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885MAPT 4794/4885

“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.