SCHEMBL4432573

SCHEMBL4432573

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
MCHR1 Q99705 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
UTS2R Q9UKP6 3/20 0.36
CCR2 P41597 2/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 2/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
PRCP P42785 1/20 0.34
CCR1 P32246 1/20 0.34
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL4432781 0.94 NPFFR1 (0.36) TNKSLMNAMAPTUTS2RPOLB
SCHEMBL4888481 0.93 CCR3 (0.40) MCHR1HTR2ACYP2D6CHRM1DRD2
SCHEMBL4433331 0.93 TNKS (0.39) TNKSTNKS2UTS2RCCR2PRCP
SCHEMBL4431351 0.92 CCR2 (0.41) UTS2RCCR2
SCHEMBL4428992 0.92 UTS2R (0.42) LMNAUTS2RPOLBCHRM4DRD2
SCHEMBL4438694 0.91 ADRA1A (0.36) MCHR1LMNAUTS2RCCR2CHRM4
SCHEMBL4888759 0.91 ALDH1A1 (0.39) UTS2RPRCP
SCHEMBL4881598 0.91 SMN1; SMN2 (0.40) LMNAMAPTCHRM1
SCHEMBL4432093 0.91 DRD2 (0.37) UTS2RCCR2HTR2ACHRM4DRD2
SCHEMBL4890234 0.90 TNKS (0.41) TNKSUTS2RHTR2ADRD2DRD3

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 TNKS 2582/4885TNKS2 921/4885MCHR1 258/4885

“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.