SCHEMBL4433331

SCHEMBL4433331

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCc4ccc(Br)cc4)CC3)C=CO2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.39
TNKS2 Q9H2K2 2/20 0.39
CCR2 P41597 2/20 0.35
UTS2R Q9UKP6 2/20 0.34
PRCP P42785 1/20 0.34
DRD3 P35462 1/20 0.33
DRD4 P21917 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR3 P51677 1/20 0.32

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
SCHEMBL4432781 0.94 NPFFR1 (0.36) TNKSUTS2RDRD4KMT2ACCR3
SCHEMBL4432573 0.93 TNKS (0.38) TNKSTNKS2CCR2UTS2RPRCP
SCHEMBL4888481 0.93 CCR3 (0.40) DRD3KMT2ACCR3
SCHEMBL4888759 0.91 ALDH1A1 (0.39) UTS2RPRCP
SCHEMBL4881598 0.91 SMN1; SMN2 (0.40) KMT2A
SCHEMBL4432093 0.91 DRD2 (0.37) CCR2UTS2RDRD3DRD4CCR3
SCHEMBL4430196 0.90 DRD4 (0.36) UTS2RDRD4CCR3
SCHEMBL4438694 0.90 ADRA1A (0.36) CCR2UTS2RCCR3
SCHEMBL15808512 0.90 EPHX2 (0.37) DRD4CCR3
SCHEMBL4431351 0.89 CCR2 (0.41) CCR2UTS2RKMT2ACCR3

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 6 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
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 TNKS 2582/4885TNKS2 921/4885CCR2 240/4885

“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.