SCHEMBL4828037

SCHEMBL4828037

Cc1cc(Nc2cccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c2)c2ccccc2n1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.81
DRD2 P14416 2/20 0.81
HTR2A P28223 2/20 0.81
HTR2C P28335 2/20 0.81
ADRA2A P08913 1/20 0.81
SLC6A2 P23975 1/20 0.81
SLC6A4 P31645 1/20 0.81
TMEM97 Q5BJF2 1/20 0.81
SIGMAR1 Q99720 1/20 0.81
NPC1 O15118 1/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
Palosuran SCHEMBL29441424 0.90 UTS2R (1.00) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL1363480 0.90 UTS2R (1.00) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL4833941 0.89 UTS2R (0.71) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL5265025 0.87 UTS2R (1.00) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL29441419 0.87 UTS2R (1.00) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL1363165 0.86 UTS2R (0.98) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL1364658 0.86 UTS2R (0.98) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL1364002 0.86 UTS2R (0.98) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL4856925 0.85 UTS2R (0.90) UTS2RDRD2HTR2AHTR2CADRA2A
Palosuran SCHEMBL5935080 0.85 UTS2R (0.86) UTS2RDRD2HTR2AHTR2CADRA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 UTS2R 1/4885DRD2 1127/4885HTR2A 241/4885

“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.