SCHEMBL4430196

SCHEMBL4430196

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCc4ccc5ccccc5c4)CC3)C=CO2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.36
MCHR1 Q99705 8/20 0.35
TGM2 P21980 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ACHE P22303 1/20 0.33
POLR1A O95602 1/20 0.33
CCR3 P51677 1/20 0.33
UTS2R Q9UKP6 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
SCHEMBL4434182 0.93 UTS2R (0.39) DRD4MCHR1UTS2R
SCHEMBL4438694 0.92 ADRA1A (0.36) MCHR1CCR3UTS2R
SCHEMBL4432781 0.91 NPFFR1 (0.36) DRD4CCR3UTS2R
SCHEMBL4431351 0.91 CCR2 (0.41) CCR3UTS2R
SCHEMBL4432573 0.90 TNKS (0.38) MCHR1CYP2D6UTS2R
SCHEMBL4433331 0.90 TNKS (0.39) DRD4CCR3UTS2R
SCHEMBL4888481 0.90 CCR3 (0.40) MCHR1CYP2D6CCR3
SCHEMBL4437192 0.90 CRHBP (0.42) CYP1A2CYP2C19
SCHEMBL4881598 0.90 SMN1; SMN2 (0.40)
SCHEMBL4563703 0.89 BCL3 (0.36) CCR3UTS2R

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 DRD4 2709/4885MCHR1 258/4885TGM2 569/4885

“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.