SCHEMBL4496826

SCHEMBL4496826

O=c1[nH]cc(-c2ccc(Cl)cc2)n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD4 P21917 2/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
OPRM1 P35372 3/20 0.36
PGR P06401 2/20 0.36
USP2 O75604 3/20 0.36
CYP1A2 P05177 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GLA P06280 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL3984299 0.84 ALDH1A1 (0.36) ALDH1A1MAPTOPRM1PGRMEN1
SCHEMBL2982497 0.75 NSD3 (0.42) DRD2DRD3DRD4ALDH1A1HPGD
SCHEMBL13801266 0.72 DRD4 (0.40) DRD2DRD3DRD4OPRM1
SCHEMBL1444727 0.70 GFER (0.42) DRD2DRD3DRD4ALDH1A1HPGD
SCHEMBL9768675 0.69 ALDH1A1 (0.48) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL11126289 0.69 ALDH1A1 (0.69) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL4500559 0.69 ALDH1A1 (0.48) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL11258178 0.66 APEX1 (0.52) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL4053051 0.66 ALDH1A1 (0.60) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL3919676 0.65 DRD2 (0.56) DRD2DRD3DRD4ALDH1A1HPGD

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 12 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-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
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-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
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 DRD2 506/4885DRD3 464/4885DRD4 949/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B DRD2 506/4885DRD3 464/4885DRD4 949/4885

“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.