SCHEMBL4437169

SCHEMBL4437169

CC(C)(C)OC(=O)NCCCCNC(=O)c1ccccc1C1CCN(CCN2C=COC(C3=CC=CC(=O)C3)=C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.41
DRD2 P14416 6/20 0.37
SIGMAR1 Q99720 2/20 0.36
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4884060 0.91 UTS2R (0.46) UTS2RDRD2LMNA
SCHEMBL4428009 0.91 UTS2R (0.45) UTS2RDRD2LMNA
SCHEMBL4430407 0.91 UTS2R (0.45) UTS2RDRD2LMNA
SCHEMBL4890241 0.89 HPGD (0.37) UTS2RDRD2HDAC3HDAC1
SCHEMBL4433580 0.88 HDAC3 (0.36) UTS2RHDAC3HDAC1
SCHEMBL4430165 0.88 HPGD (0.39) UTS2RDRD2LMNAHDAC3HDAC1
SCHEMBL4430408 0.88 UTS2R (0.37) UTS2RDRD2HDAC3HDAC1
SCHEMBL4440078 0.88 UTS2R (0.36) UTS2RDRD2HDAC3HDAC1
SCHEMBL4432414 0.87 ASAH1 (0.39) SIGMAR1HDAC3HDAC1
SCHEMBL4891155 0.87 UTS2R (0.36) UTS2RHDAC3HDAC1

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
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
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 1/4885DRD2 731/4885SIGMAR1 1479/4885

“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.