SCHEMBL8235249

SCHEMBL8235249

CCOC(=O)Cn1cc(-c2ccccc2)n(C2CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
GRK6 P43250 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 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
SCHEMBL8232742 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8227316 0.88 LMNA (0.47) ALDH1A1KDM4EL3MBTL1HTTMEN1
SCHEMBL3985136 0.83 PTGS2 (0.38) ALDH1A1KDM4EL3MBTL1CYP2C9CYP2C19
SCHEMBL11123944 0.74 GSR (0.46) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1126957 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL27831350 0.69 ALDH1A1 (0.70) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1987381 0.67 CYP1A2 (0.56) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3987226 0.67 TP53 (0.41) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL8233387 0.67 NLRP3 (0.48) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8227969 0.67 POLB (0.49) ALDH1A1KDM4EL3MBTL1CYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
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
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
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN 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 ALDH1A1 2276/4885KDM4E 4481/4885L3MBTL1 4160/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B ALDH1A1 2276/4885KDM4E 4481/4885L3MBTL1 4160/4885

“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.