SCHEMBL8233167

SCHEMBL8233167

COC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CC(C)(C)OC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.48
AVPR1A P37288 10/20 0.48
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 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
SCHEMBL8232442 0.91 AVPR2 (0.44) AVPR2AVPR1ATSHRALDH1A1MAPK1
SCHEMBL8233090 0.91 AVPR2 (0.49) AVPR2AVPR1ATSHRALDH1A1MAPK1
SCHEMBL19569171 0.82 AVPR2 (0.52) AVPR2AVPR1ATSHRCNR1
SCHEMBL8227135 0.82 AVPR2 (0.47) AVPR2AVPR1ATSHRALDH1A1MAPK1
SCHEMBL6927663 0.81 AVPR2 (0.57) AVPR2AVPR1ATSHR
SCHEMBL19577887 0.81 AVPR2 (0.48) AVPR2AVPR1ATSHRALDH1A1MAPK1
SCHEMBL8237634 0.81 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL8739607 0.81 AVPR2 (0.53) AVPR2AVPR1ATSHRCNR1CYP1A2
SCHEMBL8235892 0.81 AVPR2 (0.49) AVPR2AVPR1ATSHRALDH1A1MAPK1
SCHEMBL8233128 0.80 AVPR2 (0.45) AVPR2AVPR1ATSHRCNR1CYP1A2

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
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 2/4885TSHR 43/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885TSHR 43/4885

“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.