SCHEMBL4440086

SCHEMBL4440086

CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.78
DRD4 P21917 1/20 0.44
CHRM1 P11229 5/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 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
SCHEMBL4884050 0.94 UTS2R (0.80) UTS2RDRD4CHRM1
SCHEMBL4428005 0.94 UTS2R (0.79) UTS2RDRD4CHRM1
SCHEMBL4430402 0.94 UTS2R (0.79) UTS2RDRD4CHRM1
SCHEMBL4431593 0.88 UTS2R (1.00) UTS2RDRD4
SCHEMBL4437089 0.86 UTS2R (1.00) UTS2R
SCHEMBL4437163 0.86 UTS2R (0.73) UTS2RCHRM1HTT
SCHEMBL27775927 0.85 UTS2R (0.82) UTS2RDRD4CHRM1HTT
SCHEMBL4428971 0.84 UTS2R (1.00) UTS2RKDM4E
SCHEMBL27775670 0.84 UTS2R (0.72) UTS2RDRD4CHRM1
SCHEMBL4438271 0.84 UTS2R (0.76) UTS2RDRD4CHRM1HTT

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 8 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

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 1/4885DRD4 2709/4885CHRM1 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.