SCHEMBL4434294

SCHEMBL4434294

O=C1COc2ccccc2N1CCN1CCC(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.60
HTR7 P34969 1/20 0.59
CHRM1 P11229 11/20 0.58
DRD2 P14416 4/20 0.58
CHRM2 P08172 2/20 0.58
CHRM4 P08173 2/20 0.58
CHRM5 P08912 2/20 0.58
CHRM3 P20309 2/20 0.58
DRD3 P35462 1/20 0.58
KCNH2 Q12809 3/20 0.56
ADRA1B P35368 2/20 0.56
HTR2A P28223 2/20 0.56
MCHR1 Q99705 2/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
HTR1A P08908 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL4440581 0.91 DRD4 (0.71) DRD4CHRM1DRD2KCNH2ADRA1B
SCHEMBL4428040 0.91 DRD4 (0.55) DRD4HTR7CHRM1DRD2CHRM2
SCHEMBL4438480 0.88 DRD4 (0.61) DRD4CHRM1DRD2KCNH2HTR2A
SCHEMBL4430385 0.88 L3MBTL1 (0.59) DRD4CHRM1DRD2DRD3KCNH2
SCHEMBL4433459 0.88 DRD2 (0.58) DRD4CHRM1DRD2CHRM2CHRM4
SCHEMBL708578 0.85 DRD4 (0.62) DRD4CHRM1DRD2CHRM2CHRM4
SCHEMBL4429177 0.84 UTS2R (0.57) DRD4CHRM1DRD2CHRM2CHRM4
SCHEMBL4431458 0.84 DRD4 (0.55) DRD4CHRM1DRD2CHRM2CHRM4
SCHEMBL4889112 0.83 UTS2R (0.61) DRD4CHRM1DRD2CHRM2CHRM4
SCHEMBL31033170 0.82 DRD4 (0.67) DRD4CHRM1DRD2KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 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 (1 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 DRD4 2709/4885HTR7 507/4885CHRM1 2657/4885

“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.