SCHEMBL4432436

SCHEMBL4432436

O=C(NCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.61
KCNH2 Q12809 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
CHRM1 P11229 6/20 0.49
DRD2 P14416 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL4431636 0.92 UTS2R (0.60) UTS2RKCNH2CHRM1DRD2CHRM2
SCHEMBL4426643 0.88 UTS2R (0.62) UTS2RKCNH2CHRM1DRD2CHRM2
SCHEMBL4431497 0.87 UTS2R (0.68) UTS2RKCNH2ALDH1A1CHRM1DRD2
SCHEMBL4429192 0.86 UTS2R (0.62) UTS2RKCNH2CHRM1DRD2CHRM2
SCHEMBL4434637 0.85 UTS2R (0.60) UTS2RKCNH2ALDH1A1CHRM1DRD2
SCHEMBL27775609 0.85 UTS2R (0.67) UTS2RKCNH2CHRM1DRD2CHRM2
SCHEMBL4438082 0.85 UTS2R (0.78) UTS2RKCNH2CHRM1DRD2CHRM2
SCHEMBL4431814 0.84 UTS2R (0.68) UTS2RKCNH2CHRM1DRD2CHRM2
SCHEMBL4890303 0.84 UTS2R (0.65) UTS2RALDH1A1CHRM1
SCHEMBL4433567 0.83 UTS2R (0.65) UTS2RKCNH2CHRM1DRD2CHRM2

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
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
CN-101522197-A Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-09-02 CN claimed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO 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
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

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 UTS2R 1/4885KCNH2 3844/4885ALDH1A1 4139/4885

“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.